N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine

C17H15ClN2 — CID 43093613

IUPACN-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1cccc2cccnc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2/c1-12(14-6-2-8-15(18)11-14)20-16-9-3-5-13-7-4-10-19-17(13)16/h2-12,20H,1H3
InChIKeyOITVJVSYNAPKOW-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.06
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine

N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine (PubChem CID 43093613) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
PubChem CID43093613
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1cccc2cccnc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2/c1-12(14-6-2-8-15(18)11-14)20-16-9-3-5-13-7-4-10-19-17(13)16/h2-12,20H,1H3
InChIKeyOITVJVSYNAPKOW-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-(3-chlorophenyl)ethyl]quinolin-5-amine
CID 43108038
(1S)-1-(3-chlorophenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 28649781
N-[1-(4-methoxyphenyl)ethyl]quinolin-8-amine
CID 43191660
N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715919
N-[1-(5-chlorothiophen-2-yl)ethyl]quinolin-8-amine
CID 43438935
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
CID 43103063
2-[1-(quinolin-8-ylamino)ethyl]benzene-1,4-diol
CID 43191666

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine (CID 43093613) is N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine is CC(Nc1cccc2cccnc12)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine?
The InChIKey is OITVJVSYNAPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12(14-6-2-8-15(18)11-14)20-16-9-3-5-13-7-4-10-19-17(13)16/h2-12,20H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine?
N-[1-(3-chlorophenyl)ethyl]quinolin-8-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-(3-chlorophenyl)ethyl]quinolin-8-amine is sourced from PubChem (CID 43093613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).