1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine

C16H17Cl2N — CID 43099530

IUPAC1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-11(13-5-3-7-15(17)9-13)19-12(2)14-6-4-8-16(18)10-14/h3-12,19H,1-2H3
InChIKeyOQMLTIYVCDUHJF-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.41
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine (PubChem CID 43099530) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
PubChem CID43099530
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
SMILESCC(NC(C)c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-11(13-5-3-7-15(17)9-13)19-12(2)14-6-4-8-16(18)10-14/h3-12,19H,1-2H3
InChIKeyOQMLTIYVCDUHJF-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
2-[1-[1-(3-chlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710455
N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867952
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
CID 72566162
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 43767396
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine (CID 43099530) is 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine is CC(NC(C)c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine?
The InChIKey is OQMLTIYVCDUHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11(13-5-3-7-15(17)9-13)19-12(2)14-6-4-8-16(18)10-14/h3-12,19H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine?
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine has a molecular weight of 294.23 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43099530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).