N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine

C18H17ClN2 — CID 60716471

IUPACN-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-12-11-18(16-5-3-4-6-17(16)20-12)21-13(2)14-7-9-15(19)10-8-14/h3-11,13H,1-2H3,(H,20,21)
InChIKeyZAUMTBUPQUNWKT-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.37
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine

N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine (PubChem CID 60716471) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
PubChem CID60716471
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-12-11-18(16-5-3-4-6-17(16)20-12)21-13(2)14-7-9-15(19)10-8-14/h3-11,13H,1-2H3,(H,20,21)
InChIKeyZAUMTBUPQUNWKT-UHFFFAOYSA-N
XLogP5.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
CID 61064036
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile
CID 133310735
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine (CID 60716471) is N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine is Cc1cc(NC(C)c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine?
The InChIKey is ZAUMTBUPQUNWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-11-18(16-5-3-4-6-17(16)20-12)21-13(2)14-7-9-15(19)10-8-14/h3-11,13H,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine?
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine has a molecular weight of 296.80 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 60716471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).