(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol

C16H18ClNO — CID 118689703

IUPAC(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
SMILESCNC[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-11-15(12-7-9-14(17)10-8-12)16(19)13-5-3-2-4-6-13/h2-10,15-16,18-19H,11H2,1H3/t15-,16-/m1/s1
InChIKeyKOIULQJKXDJMSS-HZPDHXFCSA-N
MW275.78 g/mol
LogP3.38
Rot. Bonds5

About (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol

(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol (PubChem CID 118689703) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
PubChem CID118689703
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
SMILESCNC[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-11-15(12-7-9-14(17)10-8-12)16(19)13-5-3-2-4-6-13/h2-10,15-16,18-19H,11H2,1H3/t15-,16-/m1/s1
InChIKeyKOIULQJKXDJMSS-HZPDHXFCSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol (CID 118689703) is (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol is CNC[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is KOIULQJKXDJMSS-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-11-15(12-7-9-14(17)10-8-12)16(19)13-5-3-2-4-6-13/h2-10,15-16,18-19H,11H2,1H3/t15-,16-/m1/s1.
What are the key properties of (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol?
(1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 275.78 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(4-chlorophenyl)-3-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 118689703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).