N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine

C18H17ClN2 — CID 63222767

IUPACN-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-2-20-18(14-7-10-15(19)11-8-14)17-12-9-13-5-3-4-6-16(13)21-17/h3-12,18,20H,2H2,1H3
InChIKeyHQSKVOUMCAEJKG-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.59
Rot. Bonds4

About N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine

N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine (PubChem CID 63222767) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine
PubChem CID63222767
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C18H17ClN2/c1-2-20-18(14-7-10-15(19)11-8-14)17-12-9-13-5-3-4-6-16(13)21-17/h3-12,18,20H,2H2,1H3
InChIKeyHQSKVOUMCAEJKG-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
N-[(4-methylphenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222559
N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222518
N-[furan-2-yl(quinolin-2-yl)methyl]ethanamine
CID 63950003
N-[cyclohexen-1-yl(quinolin-2-yl)methyl]ethanamine
CID 106652952
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
CID 104738216
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143
N-ethyl-2-quinolin-2-ylpentan-3-amine
CID 63560957
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(4-chlorophenyl)-(2,6-dimethyl-4-pyridinyl)methyl]ethanamine
CID 107503764
[(4-methoxyphenyl)-quinolin-2-ylmethyl]hydrazine
CID 105218693
N-[(4-chlorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107973322

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine (CID 63222767) is N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine?
The InChIKey is HQSKVOUMCAEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-2-20-18(14-7-10-15(19)11-8-14)17-12-9-13-5-3-4-6-16(13)21-17/h3-12,18,20H,2H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine?
N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine has a molecular weight of 296.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine is sourced from PubChem (CID 63222767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).