(5-chloro-3,8-dimethylquinolin-2-yl)methanamine

C12H13ClN2 — CID 82242202

IUPAC(5-chloro-3,8-dimethylquinolin-2-yl)methanamine
SMILESCc1cc2c(Cl)ccc(C)c2nc1CN
InChIInChI=1S/C12H13ClN2/c1-7-3-4-10(13)9-5-8(2)11(6-14)15-12(7)9/h3-5H,6,14H2,1-2H3
InChIKeyGGYFUUDDNUMWHZ-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.96
Rot. Bonds1

About (5-chloro-3,8-dimethylquinolin-2-yl)methanamine

(5-chloro-3,8-dimethylquinolin-2-yl)methanamine (PubChem CID 82242202) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is (5-chloro-3,8-dimethylquinolin-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-3,8-dimethylquinolin-2-yl)methanamine
PubChem CID82242202
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name(5-chloro-3,8-dimethylquinolin-2-yl)methanamine
SMILESCc1cc2c(Cl)ccc(C)c2nc1CN
InChIInChI=1S/C12H13ClN2/c1-7-3-4-10(13)9-5-8(2)11(6-14)15-12(7)9/h3-5H,6,14H2,1-2H3
InChIKeyGGYFUUDDNUMWHZ-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
CID 82244742
2,5-dichloro-3-ethyl-8-methylquinoline
CID 39346000
5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine
CID 28809377
2-(5-chloro-4,8-dimethylquinolin-2-yl)ethanamine
CID 82575558
5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
CID 55223167
3-(5-chloro-4,8-dimethylquinolin-2-yl)propan-1-amine
CID 82576607
2-(5,8-dichloro-2-methylquinolin-3-yl)ethanamine
CID 82245346
(5-chloro-8-methyl-3-phenylquinolin-2-yl)hydrazine;hydrochloride
CID 43866151
(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
CID 130691517
(4,8-dimethylquinolin-2-yl)methanamine
CID 82573614
5-fluoro-3,8-dimethylquinolin-2-amine
CID 63231677
2-(7-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
CID 82244741

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3,8-dimethylquinolin-2-yl)methanamine?
The IUPAC name of (5-chloro-3,8-dimethylquinolin-2-yl)methanamine (CID 82242202) is (5-chloro-3,8-dimethylquinolin-2-yl)methanamine.
What is the SMILES notation for (5-chloro-3,8-dimethylquinolin-2-yl)methanamine?
The canonical SMILES for (5-chloro-3,8-dimethylquinolin-2-yl)methanamine is Cc1cc2c(Cl)ccc(C)c2nc1CN.
What is the InChIKey of (5-chloro-3,8-dimethylquinolin-2-yl)methanamine?
The InChIKey is GGYFUUDDNUMWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7-3-4-10(13)9-5-8(2)11(6-14)15-12(7)9/h3-5H,6,14H2,1-2H3.
What are the key properties of (5-chloro-3,8-dimethylquinolin-2-yl)methanamine?
(5-chloro-3,8-dimethylquinolin-2-yl)methanamine has a molecular weight of 220.70 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3,8-dimethylquinolin-2-yl)methanamine is sourced from PubChem (CID 82242202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).