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

C17H15ClN2 — CID 60644870

IUPACN-[1-(4-chlorophenyl)ethyl]quinolin-2-amine
SMILESCC(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2/c1-12(13-6-9-15(18)10-7-13)19-17-11-8-14-4-2-3-5-16(14)20-17/h2-12H,1H3,(H,19,20)
InChIKeyCXNCWAWYXWIIBM-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.06
Rot. Bonds3

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

N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine (PubChem CID 60644870) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]quinolin-2-amine
PubChem CID60644870
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]quinolin-2-amine
SMILESCC(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2/c1-12(13-6-9-15(18)10-7-13)19-17-11-8-14-4-2-3-5-16(14)20-17/h2-12H,1H3,(H,19,20)
InChIKeyCXNCWAWYXWIIBM-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
N-[1-(4-pyrazol-1-ylphenyl)ethyl]quinolin-2-amine
CID 133327159
N-[1-(5-methylfuran-2-yl)ethyl]quinolin-2-amine
CID 60651617
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 63090359
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 133292561
4-N-quinolin-2-ylpentane-2,4-diamine
CID 113376889
N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222767
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine (CID 60644870) is N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine is CC(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine?
The InChIKey is CXNCWAWYXWIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12(13-6-9-15(18)10-7-13)19-17-11-8-14-4-2-3-5-16(14)20-17/h2-12H,1H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine?
N-[1-(4-chlorophenyl)ethyl]quinolin-2-amine has a molecular weight of 282.77 g/mol, XLogP of 5.06, 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]quinolin-2-amine is sourced from PubChem (CID 60644870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).