N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine

C17H14Cl2N2 — CID 43103629

IUPACN-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
SMILESCC(Nc1cccc2ncccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2/c1-11(12-7-8-14(18)15(19)10-12)21-17-6-2-5-16-13(17)4-3-9-20-16/h2-11,21H,1H3
InChIKeyXMFXMWNITGZTFH-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.71
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine

N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine (PubChem CID 43103629) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
PubChem CID43103629
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
SMILESCC(Nc1cccc2ncccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2/c1-11(12-7-8-14(18)15(19)10-12)21-17-6-2-5-16-13(17)4-3-9-20-16/h2-11,21H,1H3
InChIKeyXMFXMWNITGZTFH-UHFFFAOYSA-N
XLogP5.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]quinolin-5-amine
CID 43108038
N-(1-phenylethyl)quinolin-5-amine
CID 43177987
4-[1-[(8-chloroquinolin-5-yl)amino]ethyl]phenol
CID 43731743
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299
N-(1-cyclopenta-1,3-dien-1-ylethyl)quinolin-5-amine
CID 139238393
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
N-[1-(2-ethoxyphenyl)ethyl]quinolin-5-amine
CID 43823792
N-(1-methoxypropan-2-yl)quinolin-5-amine
CID 62536398
4-[1-(quinolin-5-ylamino)propyl]phenol
CID 43192379

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine (CID 43103629) is N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine is CC(Nc1cccc2ncccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine?
The InChIKey is XMFXMWNITGZTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11(12-7-8-14(18)15(19)10-12)21-17-6-2-5-16-13(17)4-3-9-20-16/h2-11,21H,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine?
N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine has a molecular weight of 317.22 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine is sourced from PubChem (CID 43103629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).