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

C18H16ClN — CID 54795955

IUPACN-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
SMILESClc1ccc(CCNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16ClN/c19-16-10-8-14(9-11-16)12-13-20-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2
InChIKeyJCFMTJCOTMAQEE-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.15
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine (PubChem CID 54795955) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
PubChem CID54795955
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
SMILESClc1ccc(CCNc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16ClN/c19-16-10-8-14(9-11-16)12-13-20-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2
InChIKeyJCFMTJCOTMAQEE-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-fluoroaniline
CID 54798222
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758
3-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63078168
8-chloro-N-[2-(4-chlorophenyl)ethyl]cinnolin-4-amine
CID 20922981
N-[2-(3,5-dimethoxyphenyl)ethyl]naphthalen-1-amine
CID 143649592
N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
CID 55214934
2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
CID 54795871
N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
CID 106816010
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine (CID 54795955) is N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine is Clc1ccc(CCNc2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine?
The InChIKey is JCFMTJCOTMAQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c19-16-10-8-14(9-11-16)12-13-20-18-7-3-5-15-4-1-2-6-17(15)18/h1-11,20H,12-13H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine?
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine has a molecular weight of 281.79 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine is sourced from PubChem (CID 54795955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).