1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine

C15H15Cl2N — CID 43178091

IUPAC1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-11(12-6-4-7-14(16)9-12)18-10-13-5-2-3-8-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyFVRNIDDNIDSHCC-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.84
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine (PubChem CID 43178091) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
PubChem CID43178091
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2N/c1-11(12-6-4-7-14(16)9-12)18-10-13-5-2-3-8-15(13)17/h2-9,11,18H,10H2,1H3
InChIKeyFVRNIDDNIDSHCC-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)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol
CID 61390650
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
N-[(2-chloro-5-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 43462312
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine (CID 43178091) is 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine is CC(NCc1ccccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
The InChIKey is FVRNIDDNIDSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-11(12-6-4-7-14(16)9-12)18-10-13-5-2-3-8-15(13)17/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(2-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-[(2-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 43178091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).