1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine

C15H15Cl2N — CID 43080024

IUPAC1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-11(13-3-2-4-15(17)9-13)18-10-12-5-7-14(16)8-6-12/h2-9,11,18H,10H2,1H3
InChIKeyAHNKCULXOFOKEU-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.84
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine (PubChem CID 43080024) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
PubChem CID43080024
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-11(13-3-2-4-15(17)9-13)18-10-12-5-7-14(16)8-6-12/h2-9,11,18H,10H2,1H3
InChIKeyAHNKCULXOFOKEU-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437957
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685896
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine (CID 43080024) is 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine is CC(NCc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine?
The InChIKey is AHNKCULXOFOKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-11(13-3-2-4-15(17)9-13)18-10-12-5-7-14(16)8-6-12/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.84, 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-[(4-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43080024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).