4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine

C100H142ClN9OS — CID 159739782

IUPAC4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine
SMILESC.CC(C)N1CCCCC1.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2cccc(Cl)c2C1.CC(C)N1Cc2ccccc2C1.CC(C)c1nc2ccccc2s1.COc1ccc2c(c1)CN(C(C)C)C2.Cc1ccc2c(c1)CN(C(C)C)C2.Cc1ccc2c(ccn2C(C)C)c1
InChIInChI=1S/C12H17NO.C12H17N.C12H15N.C12H17N.C11H14ClN.2C11H15N.C10H11NS.C8H17N.CH4/c1-9(2)13-7-10-4-5-12(14-3)6-11(10)8-13;1-9(2)13-7-11-5-4-10(3)6-12(11)8-13;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)13-6-9-4-3-5-11(12)10(9)7-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;/h4-6,9H,7-8H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;3-5,8H,6-7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;1H4
InChIKeyNCHOMMCULDPJIU-UHFFFAOYSA-N
MW1553.82 g/mol
LogP24.99
Rot. Bonds10

About 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine

4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine (PubChem CID 159739782) has the molecular formula C100H142ClN9OS and a molecular weight of 1553.82 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine
PubChem CID159739782
Molecular FormulaC100H142ClN9OS
Molecular Weight1553.82 g/mol
Exact Mass1552.07
IUPAC Name4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine
SMILESC.CC(C)N1CCCCC1.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2cccc(Cl)c2C1.CC(C)N1Cc2ccccc2C1.CC(C)c1nc2ccccc2s1.COc1ccc2c(c1)CN(C(C)C)C2.Cc1ccc2c(c1)CN(C(C)C)C2.Cc1ccc2c(ccn2C(C)C)c1
InChIInChI=1S/C12H17NO.C12H17N.C12H15N.C12H17N.C11H14ClN.2C11H15N.C10H11NS.C8H17N.CH4/c1-9(2)13-7-10-4-5-12(14-3)6-11(10)8-13;1-9(2)13-7-11-5-4-10(3)6-12(11)8-13;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)13-6-9-4-3-5-11(12)10(9)7-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;/h4-6,9H,7-8H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;3-5,8H,6-7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;1H4
InChIKeyNCHOMMCULDPJIU-UHFFFAOYSA-N
XLogP24.99
TPSA49.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.82
LogP ≤ 524.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

4-(4-tert-butyl-3,5-dimethylthiophen-2-yl)pyridine;4-tert-butyl-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole;4-tert-butyl-5-methyl-N,N-diphenylthiophen-2-amine;2-(4-tert-butyl-5-methylthiophen-2-yl)-1,3-benzothiazole;2-(4-tert-butyl-5-methylthiophen-2-yl)quinoline;4-tert-butyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 160187798
2-[3-(5-Chloro-1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-1-[[4-[4-[[2-[3-(5-chloro-1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-1-methyl-3-(3-methylbutyl)benzo[e]indol-1-yl]methyl]phenoxy]phenyl]methyl]-1-methyl-3-(3-methylbutyl)benzo[e]indole;2-[3-[1-[[4-[4-[[1,3-dimethyl-2-[3-(3-propyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]methyl]phenoxy]phenyl]methyl]-1,3-dimethylbenzo[e]indol-2-ylidene]prop-1-enyl]-3-propyl-1,3-benzothiazol-3-ium
CID 158227745
2,5-Bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
CID 158971140
2,5-Bis(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-chlorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;ethane-1,2-diimine;2-(2-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-fluorophenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(3-isocyanophenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole;5-(4-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole;4-(3-isocyanophenyl)-2-methylaniline;3-(3-methyl-4-phenylphenyl)pyridine
CID 162095056
4-(2-Chlorophenyl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole;4-(2-methoxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole;4-(3-methoxyphenyl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole;6-methyl-4-[(1-propan-2-ylazetidin-3-yl)methyl]quinoline;2-phenyl-5-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole;4-phenyl-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole;3-(5-phenylthiophen-2-yl)-1-propan-2-ylazetidine
CID 164097576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine?
The IUPAC name of 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine (CID 159739782) is 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine.
What is the SMILES notation for 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine?
The canonical SMILES for 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine is C.CC(C)N1CCCCC1.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2cccc(Cl)c2C1.CC(C)N1Cc2ccccc2C1.CC(C)c1nc2ccccc2s1.COc1ccc2c(c1)CN(C(C)C)C2.Cc1ccc2c(c1)CN(C(C)C)C2.Cc1ccc2c(ccn2C(C)C)c1.
What is the InChIKey of 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine?
The InChIKey is NCHOMMCULDPJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H17N.C12H15N.C12H17N.C11H14ClN.2C11H15N.C10H11NS.C8H17N.CH4/c1-9(2)13-7-10-4-5-12(14-3)6-11(10)8-13;1-9(2)13-7-11-5-4-10(3)6-12(11)8-13;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)13-6-9-4-3-5-11(12)10(9)7-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)9-6-4-3-5-7-9;/h4-6,9H,7-8H2,1-3H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3-6,10H,7-9H2,1-2H3;3-5,8H,6-7H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-7H,1-2H3;8H,3-7H2,1-2H3;1H4.
What are the key properties of 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine?
4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine has a molecular weight of 1553.82 g/mol, XLogP of 24.99, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-1,3-dihydroisoindole;methane;5-methoxy-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-2-propan-2-yl-1,3-dihydroisoindole;5-methyl-1-propan-2-ylindole;2-propan-2-yl-1,3-benzothiazole;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-ylpiperidine is sourced from PubChem (CID 159739782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).