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

C18H19N3 — CID 60869079

IUPACN-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)c2ccc(N)cc2)c2ccccc2n1
InChIInChI=1S/C18H19N3/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,19H2,1-2H3,(H,20,21)
InChIKeyRLQQEQUAHLZXPA-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.30
Rot. Bonds3

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

N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine (PubChem CID 60869079) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
PubChem CID60869079
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
SMILESCc1cc(NC(C)c2ccc(N)cc2)c2ccccc2n1
InChIInChI=1S/C18H19N3/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,19H2,1-2H3,(H,20,21)
InChIKeyRLQQEQUAHLZXPA-UHFFFAOYSA-N
XLogP4.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)ethyl]quinolin-4-amine
CID 63541977
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine
CID 63587516
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylquinolin-4-amine
CID 61064036
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-methyl-N-(5-methylhexan-2-yl)quinolin-4-amine
CID 63926717
3-methyl-2-[(2-methylquinolin-4-yl)amino]butanamide
CID 106345922
N-(4-chloro-3-methylbutan-2-yl)-2-methylquinolin-4-amine
CID 113484976
4-[1-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81036110
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine (CID 60869079) is N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine is Cc1cc(NC(C)c2ccc(N)cc2)c2ccccc2n1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine?
The InChIKey is RLQQEQUAHLZXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/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,19H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine?
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine is sourced from PubChem (CID 60869079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).