1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine

C14H17ClN2 — CID 82577241

IUPAC1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine
SMILESCc1ccc2cc(Cl)cc(CC(C)(C)N)c2n1
InChIInChI=1S/C14H17ClN2/c1-9-4-5-10-6-12(15)7-11(13(10)17-9)8-14(2,3)16/h4-7H,8,16H2,1-3H3
InChIKeyJXBMDLGNIQJLPW-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.48
Rot. Bonds2

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

1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine (PubChem CID 82577241) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine
PubChem CID82577241
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine
SMILESCc1ccc2cc(Cl)cc(CC(C)(C)N)c2n1
InChIInChI=1S/C14H17ClN2/c1-9-4-5-10-6-12(15)7-11(13(10)17-9)8-14(2,3)16/h4-7H,8,16H2,1-3H3
InChIKeyJXBMDLGNIQJLPW-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-chloro-2-methylquinolin-8-yl)propanoic acid
CID 82577924
6,8-dichloro-2-methylquinoline
CID 82241618
methyl 2-(6-chloro-2-methylquinolin-8-yl)acetate
CID 82575079
1-(8-methoxy-2-methylquinolin-5-yl)-2-methylpropan-2-amine
CID 82577235
6-chloro-2-methylquinoline-8-carbaldehyde
CID 82573777
3-(4,6-dichloro-2-methylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577142
3-(6-chloro-2,4-dimethylquinolin-8-yl)-2,2-dimethylpropan-1-amine
CID 82577016
(6-fluoro-2-methylquinolin-8-yl)methanamine
CID 82573593
1-(4-methoxy-2-methylquinolin-8-yl)-2-methylpropan-2-amine
CID 82577379
1-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117327780
2-[(6-chloro-2-methylquinoline-8-carbonyl)-propylamino]acetic acid
CID 154741950
1-(5-chloro-2-ethyl-3-methoxyphenyl)-2-methylpropan-2-amine
CID 117356696

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine (CID 82577241) is 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine is Cc1ccc2cc(Cl)cc(CC(C)(C)N)c2n1.
What is the InChIKey of 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine?
The InChIKey is JXBMDLGNIQJLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-9-4-5-10-6-12(15)7-11(13(10)17-9)8-14(2,3)16/h4-7H,8,16H2,1-3H3.
What are the key properties of 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine?
1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine has a molecular weight of 248.76 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylquinolin-8-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82577241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).