7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine

C143H169BrCl2F22N14O4 — CID 158187226

IUPAC7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESCN1CCC2(CCc3ccccc32)CC1.CN1CCCC(c2cccc(C(F)(F)F)c2)C1.CN1CCOC(c2ccc(Cl)cc2)C1.CN1CCOC(c2ccccc2)C1.CN1CCc2cc(C(F)(F)F)ccc2C1.CN1CCc2ccc(Br)cc2C1.CN1CCc2ccc(C(F)(F)F)cc2C1.CN1CCc2ccc(Cl)cc2C1.CN1CCc2ccc(F)cc2C1.CN1CCc2ccc(OC(F)(F)F)cc2C1.CN1CCc2cccc(C(F)(F)F)c2C1.CN1CCc2ncc(C(F)(F)F)cc2C1.CN1COc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C14H19N.C13H16F3N.C11H14ClNO.C11H12F3NO.3C11H12F3N.C11H15NO.C10H12BrN.C10H12ClN.C10H11F3N2.C10H10F3NO.C10H12FN/c1-15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14;1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9;1-15-5-4-8-2-3-10(6-9(8)7-15)16-11(12,13)14;1-15-5-4-8-6-10(11(12,13)14)3-2-9(8)7-15;1-15-5-4-8-2-3-10(11(12,13)14)6-9(8)7-15;1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14;1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;2*1-12-5-4-8-2-3-10(11)6-9(8)7-12;1-15-3-2-9-7(6-15)4-8(5-14-9)10(11,12)13;1-14-5-7-4-8(10(11,12)13)2-3-9(7)15-6-14;1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-5H,6-11H2,1H3;2,4,6,8,11H,3,5,7,9H2,1H3;2-5,11H,6-8H2,1H3;2-3,6H,4-5,7H2,1H3;2*2-3,6H,4-5,7H2,1H3;2-4H,5-7H2,1H3;2-6,11H,7-9H2,1H3;2*2-3,6H,4-5,7H2,1H3;4-5H,2-3,6H2,1H3;2-4H,5-6H2,1H3;2-3,6H,4-5,7H2,1H3
InChIKeyFZHFBTZPIRMMLH-UHFFFAOYSA-N
MW2716.78 g/mol
LogP31.95
Rot. Bonds4

About 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine

7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine (PubChem CID 158187226) has the molecular formula C143H169BrCl2F22N14O4 and a molecular weight of 2716.78 g/mol. Its IUPAC name is 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
PubChem CID158187226
Molecular FormulaC143H169BrCl2F22N14O4
Molecular Weight2716.78 g/mol
Exact Mass2713.17
IUPAC Name7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESCN1CCC2(CCc3ccccc32)CC1.CN1CCCC(c2cccc(C(F)(F)F)c2)C1.CN1CCOC(c2ccc(Cl)cc2)C1.CN1CCOC(c2ccccc2)C1.CN1CCc2cc(C(F)(F)F)ccc2C1.CN1CCc2ccc(Br)cc2C1.CN1CCc2ccc(C(F)(F)F)cc2C1.CN1CCc2ccc(Cl)cc2C1.CN1CCc2ccc(F)cc2C1.CN1CCc2ccc(OC(F)(F)F)cc2C1.CN1CCc2cccc(C(F)(F)F)c2C1.CN1CCc2ncc(C(F)(F)F)cc2C1.CN1COc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C14H19N.C13H16F3N.C11H14ClNO.C11H12F3NO.3C11H12F3N.C11H15NO.C10H12BrN.C10H12ClN.C10H11F3N2.C10H10F3NO.C10H12FN/c1-15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14;1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9;1-15-5-4-8-2-3-10(6-9(8)7-15)16-11(12,13)14;1-15-5-4-8-6-10(11(12,13)14)3-2-9(8)7-15;1-15-5-4-8-2-3-10(11(12,13)14)6-9(8)7-15;1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14;1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;2*1-12-5-4-8-2-3-10(11)6-9(8)7-12;1-15-3-2-9-7(6-15)4-8(5-14-9)10(11,12)13;1-14-5-7-4-8(10(11,12)13)2-3-9(7)15-6-14;1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-5H,6-11H2,1H3;2,4,6,8,11H,3,5,7,9H2,1H3;2-5,11H,6-8H2,1H3;2-3,6H,4-5,7H2,1H3;2*2-3,6H,4-5,7H2,1H3;2-4H,5-7H2,1H3;2-6,11H,7-9H2,1H3;2*2-3,6H,4-5,7H2,1H3;4-5H,2-3,6H2,1H3;2-4H,5-6H2,1H3;2-3,6H,4-5,7H2,1H3
InChIKeyFZHFBTZPIRMMLH-UHFFFAOYSA-N
XLogP31.95
TPSA91.93 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002716.78
LogP ≤ 531.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine with MolForge

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Related Compounds

7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 157449104
4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
CID 157856083
4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;1,3-difluoro-4-methyl-2-propan-2-ylbenzene;2,3-difluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-methyl-2-propan-2-yl-1-(trifluoromethyl)benzene;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
CID 159513167
4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;4-fluoro-2-propan-2-yl-1-(trifluoromethoxy)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-phenyl-2-propan-2-ylpyridine;5-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
CID 161158828
4-bromo-1-methyl-2-propan-2-ylbenzene;4-tert-butyl-1-methoxy-2-propan-2-ylbenzene;3-chloro-1,2-difluoro-4-methyl-5-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;1-(1,1-difluoroethoxy)-4-fluoro-2-propan-2-ylbenzene;1-(1,1-difluoroethyl)-4-methyl-2-propan-2-ylbenzene;2-(1,1-difluoroethyl)-4-methyl-1-propan-2-ylbenzene;2-fluoro-1,3-dimethyl-4-propan-2-ylbenzene;2-fluoro-1,4-dimethyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;3-methyl-4-propan-2-ylbenzonitrile;4-phenyl-2-propan-2-ylpyridine;7-propan-2-yl-1H-isoindole;2-propan-2-yl-1,6-naphthyridine
CID 162078378

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine (CID 158187226) is 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine is CN1CCC2(CCc3ccccc32)CC1.CN1CCCC(c2cccc(C(F)(F)F)c2)C1.CN1CCOC(c2ccc(Cl)cc2)C1.CN1CCOC(c2ccccc2)C1.CN1CCc2cc(C(F)(F)F)ccc2C1.CN1CCc2ccc(Br)cc2C1.CN1CCc2ccc(C(F)(F)F)cc2C1.CN1CCc2ccc(Cl)cc2C1.CN1CCc2ccc(F)cc2C1.CN1CCc2ccc(OC(F)(F)F)cc2C1.CN1CCc2cccc(C(F)(F)F)c2C1.CN1CCc2ncc(C(F)(F)F)cc2C1.CN1COc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is FZHFBTZPIRMMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C13H16F3N.C11H14ClNO.C11H12F3NO.3C11H12F3N.C11H15NO.C10H12BrN.C10H12ClN.C10H11F3N2.C10H10F3NO.C10H12FN/c1-15-10-8-14(9-11-15)7-6-12-4-2-3-5-13(12)14;1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16;1-13-6-7-14-11(8-13)9-2-4-10(12)5-3-9;1-15-5-4-8-2-3-10(6-9(8)7-15)16-11(12,13)14;1-15-5-4-8-6-10(11(12,13)14)3-2-9(8)7-15;1-15-5-4-8-2-3-10(11(12,13)14)6-9(8)7-15;1-15-6-5-8-3-2-4-10(9(8)7-15)11(12,13)14;1-12-7-8-13-11(9-12)10-5-3-2-4-6-10;2*1-12-5-4-8-2-3-10(11)6-9(8)7-12;1-15-3-2-9-7(6-15)4-8(5-14-9)10(11,12)13;1-14-5-7-4-8(10(11,12)13)2-3-9(7)15-6-14;1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-5H,6-11H2,1H3;2,4,6,8,11H,3,5,7,9H2,1H3;2-5,11H,6-8H2,1H3;2-3,6H,4-5,7H2,1H3;2*2-3,6H,4-5,7H2,1H3;2-4H,5-7H2,1H3;2-6,11H,7-9H2,1H3;2*2-3,6H,4-5,7H2,1H3;4-5H,2-3,6H2,1H3;2-4H,5-6H2,1H3;2-3,6H,4-5,7H2,1H3.
What are the key properties of 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine?
7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine has a molecular weight of 2716.78 g/mol, XLogP of 31.95, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-3,4-dihydro-1H-isoquinoline;7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;3-methyl-6-(trifluoromethyl)-2,4-dihydro-1,3-benzoxazine;2-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 158187226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).