3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine

C14H17ClN2 — CID 82576605

IUPAC3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
SMILESCc1cc(CCCN)nc2c(C)cc(Cl)cc12
InChIInChI=1S/C14H17ClN2/c1-9-7-12(4-3-5-16)17-14-10(2)6-11(15)8-13(9)14/h6-8H,3-5,16H2,1-2H3
InChIKeyLKASBGWHUDSPEQ-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.40
Rot. Bonds3

About 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine

3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine (PubChem CID 82576605) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
PubChem CID82576605
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
SMILESCc1cc(CCCN)nc2c(C)cc(Cl)cc12
InChIInChI=1S/C14H17ClN2/c1-9-7-12(4-3-5-16)17-14-10(2)6-11(15)8-13(9)14/h6-8H,3-5,16H2,1-2H3
InChIKeyLKASBGWHUDSPEQ-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575556
4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
CID 82577739
(6,8-dichloro-4-methylquinolin-2-yl)methanamine
CID 82573654
3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576607
2-(6-chloro-2,8-dimethylquinolin-4-yl)ethanamine
CID 82575608
2-butyl-6-chloro-4-methylquinoline
CID 23624331
(4,6,8-trimethylquinolin-2-yl)methanamine
CID 82573618
6-chloro-N-ethyl-8-methyl-2-propylquinolin-4-amine
CID 63480980
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
4-(7-methoxy-4-methylquinolin-2-yl)butan-1-amine
CID 82577735
3-(5-chloro-7-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82231159
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
The IUPAC name of 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine (CID 82576605) is 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
The canonical SMILES for 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine is Cc1cc(CCCN)nc2c(C)cc(Cl)cc12.
What is the InChIKey of 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
The InChIKey is LKASBGWHUDSPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-7-12(4-3-5-16)17-14-10(2)6-11(15)8-13(9)14/h6-8H,3-5,16H2,1-2H3.
What are the key properties of 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine?
3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine has a molecular weight of 248.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine is sourced from PubChem (CID 82576605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).