1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine

C13H15ClN2 — CID 82577493

IUPAC1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine
SMILESCc1ccnc2c(CC(C)N)cc(Cl)cc12
InChIInChI=1S/C13H15ClN2/c1-8-3-4-16-13-10(5-9(2)15)6-11(14)7-12(8)13/h3-4,6-7,9H,5,15H2,1-2H3
InChIKeyYWGRKFHCEZSPDW-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.09
Rot. Bonds2

About 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine

1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine (PubChem CID 82577493) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine
PubChem CID82577493
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine
SMILESCc1ccnc2c(CC(C)N)cc(Cl)cc12
InChIInChI=1S/C13H15ClN2/c1-8-3-4-16-13-10(5-9(2)15)6-11(14)7-12(8)13/h3-4,6-7,9H,5,15H2,1-2H3
InChIKeyYWGRKFHCEZSPDW-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-4-methylquinolin-8-yl)ethanamine
CID 82575531
6,8-dichloro-4-methylquinoline;ethane
CID 177201451
6,8-dichloro-4-methylquinoline;ethane
CID 177201180
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-(8-methylisoquinolin-5-yl)propan-2-amine
CID 82577426
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
1-[5-chloro-3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 104667037

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine?
The IUPAC name of 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine (CID 82577493) is 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine.
What is the SMILES notation for 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine?
The canonical SMILES for 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine is Cc1ccnc2c(CC(C)N)cc(Cl)cc12.
What is the InChIKey of 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine?
The InChIKey is YWGRKFHCEZSPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-3-4-16-13-10(5-9(2)15)6-11(14)7-12(8)13/h3-4,6-7,9H,5,15H2,1-2H3.
What are the key properties of 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine?
1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine has a molecular weight of 234.73 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methylquinolin-8-yl)propan-2-amine is sourced from PubChem (CID 82577493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).