2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine

C15H19ClN2 — CID 116997765

IUPAC2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine
SMILESCc1cc2cc(C(CN)C(C)C)ccc2nc1Cl
InChIInChI=1S/C15H19ClN2/c1-9(2)13(8-17)11-4-5-14-12(7-11)6-10(3)15(16)18-14/h4-7,9,13H,8,17H2,1-3H3
InChIKeyXMPLNZQUXODDCI-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine

2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine (PubChem CID 116997765) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine
PubChem CID116997765
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine
SMILESCc1cc2cc(C(CN)C(C)C)ccc2nc1Cl
InChIInChI=1S/C15H19ClN2/c1-9(2)13(8-17)11-4-5-14-12(7-11)6-10(3)15(16)18-14/h4-7,9,13H,8,17H2,1-3H3
InChIKeyXMPLNZQUXODDCI-UHFFFAOYSA-N
XLogP3.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-3-methylquinolin-6-yl)-2-methylbutan-1-amine
CID 116997855
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
1-(2-chloro-3-ethylquinolin-6-yl)ethanamine
CID 82023652
2-(2-chloro-3-methylquinolin-6-yl)acetaldehyde
CID 116997865
2-(3-chloro-5-methylphenyl)-3-methylbutan-1-amine
CID 83703370
2-(1,3-benzoxazol-5-yl)-3-methylbutan-1-amine
CID 82491901
3-amino-2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65190424
6-butan-2-yl-2-chloro-3-(chloromethyl)quinoline
CID 63531222
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
2-chloro-3-methylquinoline-6-sulfinic acid
CID 165454968
2-chloro-N,N-diethyl-3-methylquinoline-6-sulfonamide
CID 39453360

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine (CID 116997765) is 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine is Cc1cc2cc(C(CN)C(C)C)ccc2nc1Cl.
What is the InChIKey of 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine?
The InChIKey is XMPLNZQUXODDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-9(2)13(8-17)11-4-5-14-12(7-11)6-10(3)15(16)18-14/h4-7,9,13H,8,17H2,1-3H3.
What are the key properties of 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine?
2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine has a molecular weight of 262.78 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylquinolin-6-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 116997765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).