2-(7-chloro-3-methylquinolin-2-yl)ethanamine

C12H13ClN2 — CID 82242204

IUPAC2-(7-chloro-3-methylquinolin-2-yl)ethanamine
SMILESCc1cc2ccc(Cl)cc2nc1CCN
InChIInChI=1S/C12H13ClN2/c1-8-6-9-2-3-10(13)7-12(9)15-11(8)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyGZYUDIVQWCTPEX-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.70
Rot. Bonds2

About 2-(7-chloro-3-methylquinolin-2-yl)ethanamine

2-(7-chloro-3-methylquinolin-2-yl)ethanamine (PubChem CID 82242204) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(7-chloro-3-methylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-3-methylquinolin-2-yl)ethanamine
PubChem CID82242204
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-(7-chloro-3-methylquinolin-2-yl)ethanamine
SMILESCc1cc2ccc(Cl)cc2nc1CCN
InChIInChI=1S/C12H13ClN2/c1-8-6-9-2-3-10(13)7-12(9)15-11(8)4-5-14/h2-3,6-7H,4-5,14H2,1H3
InChIKeyGZYUDIVQWCTPEX-UHFFFAOYSA-N
XLogP2.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,8-dichloro-3-methylquinolin-2-yl)ethanamine
CID 82245360
2-(7-chlorocinnolin-3-yl)ethanamine
CID 143140000
3-bromo-7-chloro-2-ethylquinoline
CID 123560307
7-chloro-2-methylquinolin-3-amine
CID 72942962
(7-chloro-3-methylquinoxalin-2-yl)methanamine
CID 117274858
3-bromo-7-chloro-2-methylquinoline
CID 151670813
2-(7-chloro-3-methylquinolin-2-yl)propanoic acid
CID 84633602
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-(7-chloroquinolin-2-yl)-2-methylpropan-1-amine
CID 84627975
2,7-dichloro-3-ethylquinoline
CID 39346010
4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
CID 82577739
2-(3-methyl-8-propan-2-ylquinolin-2-yl)ethanamine
CID 82242686

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-methylquinolin-2-yl)ethanamine?
The IUPAC name of 2-(7-chloro-3-methylquinolin-2-yl)ethanamine (CID 82242204) is 2-(7-chloro-3-methylquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-3-methylquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-3-methylquinolin-2-yl)ethanamine is Cc1cc2ccc(Cl)cc2nc1CCN.
What is the InChIKey of 2-(7-chloro-3-methylquinolin-2-yl)ethanamine?
The InChIKey is GZYUDIVQWCTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-6-9-2-3-10(13)7-12(9)15-11(8)4-5-14/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-(7-chloro-3-methylquinolin-2-yl)ethanamine?
2-(7-chloro-3-methylquinolin-2-yl)ethanamine has a molecular weight of 220.70 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-methylquinolin-2-yl)ethanamine is sourced from PubChem (CID 82242204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).