(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine

C15H14Cl3N — CID 28520409

IUPAC(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-10(13-4-2-3-5-14(13)17)19-9-11-6-7-12(16)8-15(11)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyUZDODMKDGJYOQE-SNVBAGLBSA-N
MW314.64 g/mol
LogP5.50
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine

(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 28520409) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID28520409
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3N/c1-10(13-4-2-3-5-14(13)17)19-9-11-6-7-12(16)8-15(11)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyUZDODMKDGJYOQE-SNVBAGLBSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.64
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 104980004
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377900
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]benzene-1,3-diol
CID 28649171
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
1-[(2,4-dichlorophenyl)methylamino]ethanethiol
CID 143498139
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43095873
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine (CID 28520409) is (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine is C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is UZDODMKDGJYOQE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-10(13-4-2-3-5-14(13)17)19-9-11-6-7-12(16)8-15(11)18/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 314.64 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 28520409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).