N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine

C15H19ClN2 — CID 113484976

IUPACN-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)C(C)CCl)c2ccccc2n1
InChIInChI=1S/C15H19ClN2/c1-10(9-16)12(3)18-15-8-11(2)17-14-7-5-4-6-13(14)15/h4-8,10,12H,9H2,1-3H3,(H,17,18)
InChIKeyHHQAOFBAGZZYAN-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.22
Rot. Bonds4

About N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine

N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine (PubChem CID 113484976) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
PubChem CID113484976
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC NameN-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)C(C)CCl)c2ccccc2n1
InChIInChI=1S/C15H19ClN2/c1-10(9-16)12(3)18-15-8-11(2)17-14-7-5-4-6-13(14)15/h4-8,10,12H,9H2,1-3H3,(H,17,18)
InChIKeyHHQAOFBAGZZYAN-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
CID 114150940
2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
N-(2-chloro-2-phenylethyl)-2-methylquinolin-4-amine
CID 65027861
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine?
The IUPAC name of N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine (CID 113484976) is N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine is Cc1cc(NC(C)C(C)CCl)c2ccccc2n1.
What is the InChIKey of N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine?
The InChIKey is HHQAOFBAGZZYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10(9-16)12(3)18-15-8-11(2)17-14-7-5-4-6-13(14)15/h4-8,10,12H,9H2,1-3H3,(H,17,18).
What are the key properties of N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine?
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine has a molecular weight of 262.78 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine is sourced from PubChem (CID 113484976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).