N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine

C17H15ClN2 — CID 43108038

IUPACN-[1-(3-chlorophenyl)ethyl]quinolin-5-amine
SMILESCC(Nc1cccc2ncccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2/c1-12(13-5-2-6-14(18)11-13)20-17-9-3-8-16-15(17)7-4-10-19-16/h2-12,20H,1H3
InChIKeySEBSYDIORYVLMH-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.06
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine

N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine (PubChem CID 43108038) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]quinolin-5-amine
PubChem CID43108038
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]quinolin-5-amine
SMILESCC(Nc1cccc2ncccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2/c1-12(13-5-2-6-14(18)11-13)20-17-9-3-8-16-15(17)7-4-10-19-16/h2-12,20H,1H3
InChIKeySEBSYDIORYVLMH-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-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
CID 43103629
N-(1-phenylethyl)quinolin-5-amine
CID 43177987
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715919
N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine
CID 139238393
N-[1-(3-chlorophenyl)ethyl]-2,1-benzothiazol-3-amine
CID 63372965
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine (CID 43108038) is N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine is CC(Nc1cccc2ncccc12)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine?
The InChIKey is SEBSYDIORYVLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12(13-5-2-6-14(18)11-13)20-17-9-3-8-16-15(17)7-4-10-19-16/h2-12,20H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine?
N-[1-(3-chlorophenyl)ethyl]quinolin-5-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-5-amine is sourced from PubChem (CID 43108038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).