3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol

C17H21NO2 — CID 14391185

IUPAC3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
SMILESOCCCNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NO2/c19-13-7-12-18-16(14-8-3-1-4-9-14)17(20)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2
InChIKeyXXVZFHVNEXASPA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.43
Rot. Bonds7

About 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol

3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol (PubChem CID 14391185) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
PubChem CID14391185
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol
SMILESOCCCNC(c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H21NO2/c19-13-7-12-18-16(14-8-3-1-4-9-14)17(20)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2
InChIKeyXXVZFHVNEXASPA-UHFFFAOYSA-N
XLogP2.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylsulfanylethylamino)-1,2-diphenylethanol
CID 19806393
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 14093660
(1S,2S)-2-anilino-1,2-diphenylethanol
CID 1236280
sodium;hydride;2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]acetic acid
CID 173391415
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
4-hydroxy-3-(2-hydroxyethylamino)-4-phenylbutanoic acid
CID 82347220
2-methyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 113350165
(1S,2S)-2-(hydroxymethyl)-1-phenylpentane-1,5-diol
CID 10774811
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
2-(3-hydroxypropylamino)-3-phenylbutanenitrile
CID 62587688
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol (CID 14391185) is 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol is OCCCNC(c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol?
The InChIKey is XXVZFHVNEXASPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-13-7-12-18-16(14-8-3-1-4-9-14)17(20)15-10-5-2-6-11-15/h1-6,8-11,16-20H,7,12-13H2.
What are the key properties of 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol?
3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-1,2-diphenylethyl)amino]propan-1-ol is sourced from PubChem (CID 14391185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).