4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol

C24H28N2O — CID 71178152

IUPAC4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
SMILESC[C@H](NCc1cc(CN[C@H](C)c2ccccc2)ccc1O)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-18(21-9-5-3-6-10-21)25-16-20-13-14-24(27)23(15-20)17-26-19(2)22-11-7-4-8-12-22/h3-15,18-19,25-27H,16-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyPWSCEJMGHHHLJE-MOPGFXCFSA-N
MW360.50 g/mol
LogP5.09
Rot. Bonds8

About 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol

4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol (PubChem CID 71178152) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
PubChem CID71178152
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
SMILESC[C@H](NCc1cc(CN[C@H](C)c2ccccc2)ccc1O)c1ccccc1
InChIInChI=1S/C24H28N2O/c1-18(21-9-5-3-6-10-21)25-16-20-13-14-24(27)23(15-20)17-26-19(2)22-11-7-4-8-12-22/h3-15,18-19,25-27H,16-17H2,1-2H3/t18-,19+/m1/s1
InChIKeyPWSCEJMGHHHLJE-MOPGFXCFSA-N
XLogP5.09
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]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-phenylethylamino)methyl]phenol
CID 3669487
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
N-[4-hydroxy-3-[[[(1S)-1-phenylethyl]amino]methyl]phenyl]acetamide
CID 125464014
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
CID 63327164
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol?
The IUPAC name of 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol (CID 71178152) is 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol is C[C@H](NCc1cc(CN[C@H](C)c2ccccc2)ccc1O)c1ccccc1.
What is the InChIKey of 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol?
The InChIKey is PWSCEJMGHHHLJE-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H28N2O/c1-18(21-9-5-3-6-10-21)25-16-20-13-14-24(27)23(15-20)17-26-19(2)22-11-7-4-8-12-22/h3-15,18-19,25-27H,16-17H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol?
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol has a molecular weight of 360.50 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol is sourced from PubChem (CID 71178152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).