1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine

C130H162ClF11N18 — CID 162100048

IUPAC1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine
SMILESCC(C)(C)c1nc(N)c(F)c2ccccc12.CC(C)(C)c1nc(N)cc(C2CC2)c1C(F)(F)F.CC(C)(C)c1nc(N)cc2c(Cl)cccc12.CC(C)(C)c1nc(N)cc2ccc(F)cc12.CC(C)(C)c1nc(N)cc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CCc1cc(C)c(C(F)(F)F)c(C(C)(C)C)n1.CCc1ccc(C(F)(F)F)c(C(C)(C)C)n1.Cc1cccc2cc(N)nc(C(C)(C)C)c12
InChIInChI=1S/C14H18N2.C13H15ClN2.C13H17F3N2.C13H18F3N.2C13H15FN2.3C13H16N2.C12H16F3N/c1-9-6-5-7-10-8-11(15)16-13(12(9)10)14(2,3)4;1-13(2,3)12-8-5-4-6-10(14)9(8)7-11(15)16-12;1-12(2,3)11-10(13(14,15)16)8(7-4-5-7)6-9(17)18-11;1-6-9-7-8(2)10(13(14,15)16)11(17-9)12(3,4)5;1-13(2,3)12-10-7-9(14)5-4-8(10)6-11(15)16-12;1-13(2,3)11-9-7-5-4-6-8(9)10(14)12(15)16-11;3*1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-5-8-6-7-9(12(13,14)15)10(16-8)11(2,3)4/h5-8H,1-4H3,(H2,15,16);4-7H,1-3H3,(H2,15,16);6-7H,4-5H2,1-3H3,(H2,17,18);7H,6H2,1-5H3;2*4-7H,1-3H3,(H2,15,16);3*4-8H,1-3H3,(H2,14,15);6-7H,5H2,1-4H3
InChIKeyZETJLXBGZJPFAE-UHFFFAOYSA-N
MW2221.28 g/mol
LogP35.13
Rot. Bonds3

About 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine

1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine (PubChem CID 162100048) has the molecular formula C130H162ClF11N18 and a molecular weight of 2221.28 g/mol. Its IUPAC name is 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine
PubChem CID162100048
Molecular FormulaC130H162ClF11N18
Molecular Weight2221.28 g/mol
Exact Mass2219.27
IUPAC Name1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine
SMILESCC(C)(C)c1nc(N)c(F)c2ccccc12.CC(C)(C)c1nc(N)cc(C2CC2)c1C(F)(F)F.CC(C)(C)c1nc(N)cc2c(Cl)cccc12.CC(C)(C)c1nc(N)cc2ccc(F)cc12.CC(C)(C)c1nc(N)cc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CCc1cc(C)c(C(F)(F)F)c(C(C)(C)C)n1.CCc1ccc(C(F)(F)F)c(C(C)(C)C)n1.Cc1cccc2cc(N)nc(C(C)(C)C)c12
InChIInChI=1S/C14H18N2.C13H15ClN2.C13H17F3N2.C13H18F3N.2C13H15FN2.3C13H16N2.C12H16F3N/c1-9-6-5-7-10-8-11(15)16-13(12(9)10)14(2,3)4;1-13(2,3)12-8-5-4-6-10(14)9(8)7-11(15)16-12;1-12(2,3)11-10(13(14,15)16)8(7-4-5-7)6-9(17)18-11;1-6-9-7-8(2)10(13(14,15)16)11(17-9)12(3,4)5;1-13(2,3)12-10-7-9(14)5-4-8(10)6-11(15)16-12;1-13(2,3)11-9-7-5-4-6-8(9)10(14)12(15)16-11;3*1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-5-8-6-7-9(12(13,14)15)10(16-8)11(2,3)4/h5-8H,1-4H3,(H2,15,16);4-7H,1-3H3,(H2,15,16);6-7H,4-5H2,1-3H3,(H2,17,18);7H,6H2,1-5H3;2*4-7H,1-3H3,(H2,15,16);3*4-8H,1-3H3,(H2,14,15);6-7H,5H2,1-4H3
InChIKeyZETJLXBGZJPFAE-UHFFFAOYSA-N
XLogP35.13
TPSA337.06 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds3
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002221.28
LogP ≤ 535.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine with MolForge

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Related Compounds

4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158397716
7-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;7-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 159756312
2-[7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline;2-[(7R)-7-[3-(trifluoromethyl)phenyl]nonyl]-5,6,7,8-tetrahydroquinoline
CID 159848462
1-Tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;1-tert-butyl-8-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine)
CID 160647570
4-Tert-butyl-5-chloroisoquinoline;1-tert-butyl-2-cyclopropylbenzene;1-tert-butyl-2-(trifluoromethyl)benzene;1,2-dichloro-3-propan-2-ylbenzene;2-fluoro-4,5-dimethyl-3-propan-2-ylaniline;1-methyl-3-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;1-propan-2-ylisoquinoline
CID 165086105
4-Tert-butyl-5-chloroisoquinoline;1,2-dichloro-3-propan-2-ylbenzene;2-fluoro-5-methyl-3-propan-2-yl-4-(trifluoromethyl)aniline;1-methyl-3-propan-2-yl-2-(trifluoromethyl)benzene;4-methyl-6-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine;1-propan-2-ylisoquinoline
CID 165092782

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine?
The IUPAC name of 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine (CID 162100048) is 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine.
What is the SMILES notation for 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine?
The canonical SMILES for 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine is CC(C)(C)c1nc(N)c(F)c2ccccc12.CC(C)(C)c1nc(N)cc(C2CC2)c1C(F)(F)F.CC(C)(C)c1nc(N)cc2c(Cl)cccc12.CC(C)(C)c1nc(N)cc2ccc(F)cc12.CC(C)(C)c1nc(N)cc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CC(C)(C)c1nc(N)cc2ccccc12.CCc1cc(C)c(C(F)(F)F)c(C(C)(C)C)n1.CCc1ccc(C(F)(F)F)c(C(C)(C)C)n1.Cc1cccc2cc(N)nc(C(C)(C)C)c12.
What is the InChIKey of 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine?
The InChIKey is ZETJLXBGZJPFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C13H15ClN2.C13H17F3N2.C13H18F3N.2C13H15FN2.3C13H16N2.C12H16F3N/c1-9-6-5-7-10-8-11(15)16-13(12(9)10)14(2,3)4;1-13(2,3)12-8-5-4-6-10(14)9(8)7-11(15)16-12;1-12(2,3)11-10(13(14,15)16)8(7-4-5-7)6-9(17)18-11;1-6-9-7-8(2)10(13(14,15)16)11(17-9)12(3,4)5;1-13(2,3)12-10-7-9(14)5-4-8(10)6-11(15)16-12;1-13(2,3)11-9-7-5-4-6-8(9)10(14)12(15)16-11;3*1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12;1-5-8-6-7-9(12(13,14)15)10(16-8)11(2,3)4/h5-8H,1-4H3,(H2,15,16);4-7H,1-3H3,(H2,15,16);6-7H,4-5H2,1-3H3,(H2,17,18);7H,6H2,1-5H3;2*4-7H,1-3H3,(H2,15,16);3*4-8H,1-3H3,(H2,14,15);6-7H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine?
1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine has a molecular weight of 2221.28 g/mol, XLogP of 35.13, 3 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-chloroisoquinolin-3-amine;6-tert-butyl-4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine;2-tert-butyl-6-ethyl-4-methyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-ethyl-3-(trifluoromethyl)pyridine;1-tert-butyl-4-fluoroisoquinolin-3-amine;1-tert-butyl-7-fluoroisoquinolin-3-amine;tris(1-tert-butylisoquinolin-3-amine);1-tert-butyl-8-methylisoquinolin-3-amine is sourced from PubChem (CID 162100048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).