2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine

C16H17Cl2N — CID 70453735

IUPAC2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
SMILESClc1ccccc1CCNCCc1ccccc1Cl
InChIInChI=1S/C16H17Cl2N/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-8,19H,9-12H2
InChIKeyIXLPXOKQXRWZSY-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.37
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine

2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine (PubChem CID 70453735) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
PubChem CID70453735
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine
SMILESClc1ccccc1CCNCCc1ccccc1Cl
InChIInChI=1S/C16H17Cl2N/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-8,19H,9-12H2
InChIKeyIXLPXOKQXRWZSY-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(2-chlorophenyl)ethyl]octane-1,8-diamine
CID 24840689
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
2-[3-(2-chlorophenyl)propylamino]ethanol
CID 70464320
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 115596018
N-[2-(2-chlorophenyl)ethyl]-N'-[(1S)-1-naphthalen-1-ylethyl]ethane-1,2-diamine
CID 129364517
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
2-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine;hydrochloride
CID 115607686
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
1-chloro-2-(2-phenylethyl)benzene
CID 21495838
azane;2-(2-chlorophenyl)ethanamine
CID 70087147

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine (CID 70453735) is 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine is Clc1ccccc1CCNCCc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine?
The InChIKey is IXLPXOKQXRWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-8,19H,9-12H2.
What are the key properties of 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine?
2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine has a molecular weight of 294.23 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(2-chlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 70453735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).