(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine

C14H13Cl2N — CID 26249036

IUPAC(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h1-8,12H,9,17H2/t12-/m0/s1
InChIKeyAYTPJPQOCDNXRW-LBPRGKRZSA-N
MW266.17 g/mol
LogP4.08
Rot. Bonds3

About (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine

(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine (PubChem CID 26249036) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
PubChem CID26249036
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine
SMILESNC[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h1-8,12H,9,17H2/t12-/m0/s1
InChIKeyAYTPJPQOCDNXRW-LBPRGKRZSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dichlorophenyl)-2-pyrimidin-2-ylethanamine
CID 75357405
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
2-(3,5-dichlorophenyl)-2-phenylethanamine
CID 5170020
(4R)-4-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 11833125
2-[4-chloro-3-(2-fluoro-6-methylphenyl)phenyl]-2-phenylethanamine
CID 172604544
2-phenyl-2-(4-phenylphenyl)ethanamine
CID 44719858
(2R)-2-(2,6-dichlorophenyl)-2-phenylethanamine
CID 125466281
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
4-(2-amino-1-phenylethyl)-2-iodoaniline
CID 21125810
2-[4-(aminomethyl)phenyl]-2-phenylethanamine
CID 53429078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine (CID 26249036) is (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine is NC[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine?
The InChIKey is AYTPJPQOCDNXRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13Cl2N/c15-13-7-6-11(8-14(13)16)12(9-17)10-4-2-1-3-5-10/h1-8,12H,9,17H2/t12-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine?
(2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine has a molecular weight of 266.17 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-2-phenylethanamine is sourced from PubChem (CID 26249036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).