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

C15H14Cl3N — CID 11738554

IUPAC(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3N/c1-10(14-7-6-13(17)8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyHBVMWFFQDDSDIT-JTQLQIEISA-N
MW314.64 g/mol
LogP5.50
Rot. Bonds4

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

(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine (PubChem CID 11738554) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
PubChem CID11738554
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3N/c1-10(14-7-6-13(17)8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyHBVMWFFQDDSDIT-JTQLQIEISA-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

Analyze (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine with MolForge

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562
N-[(4-cyclopropylphenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 79969797
1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483117
(1S)-1-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 28600399
2,3-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]prop-2-en-1-amine
CID 79167721
1-(2,4-dichlorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43080367
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
N-[1-(2,4-dichlorophenyl)ethyl]but-2-yn-1-amine
CID 62312519
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine (CID 11738554) is (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine is C[C@H](NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
The InChIKey is HBVMWFFQDDSDIT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14Cl3N/c1-10(14-7-6-13(17)8-15(14)18)19-9-11-2-4-12(16)5-3-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine?
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)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 (1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 11738554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).