2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol

C21H20ClNO — CID 122234675

IUPAC2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
SMILESC[C@H](N[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1Cl
InChIInChI=1S/C21H20ClNO/c1-15(17-11-5-7-13-19(17)22)23-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)24/h2-15,21,23-24H,1H3/t15-,21-/m0/s1
InChIKeyHJHQFXIJTODKRW-BTYIYWSLSA-N
MW337.85 g/mol
LogP5.49
Rot. Bonds5

About 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol

2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol (PubChem CID 122234675) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol.

Molecular Properties

Compound Name2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
PubChem CID122234675
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol
SMILESC[C@H](N[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1Cl
InChIInChI=1S/C21H20ClNO/c1-15(17-11-5-7-13-19(17)22)23-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)24/h2-15,21,23-24H,1H3/t15-,21-/m0/s1
InChIKeyHJHQFXIJTODKRW-BTYIYWSLSA-N
XLogP5.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol 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-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
(3R)-3-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755726
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
2-[1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81377013
2-[1-(2-chlorophenyl)ethylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 18088205
(1R)-1-(4-chlorophenyl)-N-[1-(2-chlorophenyl)ethyl]ethanamine
CID 81355519
2-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253658
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
CID 9043598
(2S)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 9356593
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350627

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol?
The IUPAC name of 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol (CID 122234675) is 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol.
What is the SMILES notation for 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol?
The canonical SMILES for 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol is C[C@H](N[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1Cl.
What is the InChIKey of 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol?
The InChIKey is HJHQFXIJTODKRW-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-15(17-11-5-7-13-19(17)22)23-21(16-9-3-2-4-10-16)18-12-6-8-14-20(18)24/h2-15,21,23-24H,1H3/t15-,21-/m0/s1.
What are the key properties of 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol?
2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol has a molecular weight of 337.85 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-phenylmethyl]phenol is sourced from PubChem (CID 122234675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).