1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol

C21H29NO3 — CID 167933634

IUPAC1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1ccccc1)C(CO)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-17(2)25-16-20(24)14-22(13-18-9-5-3-6-10-18)21(15-23)19-11-7-4-8-12-19/h3-12,17,20-21,23-24H,13-16H2,1-2H3
InChIKeyZFJMCLXBQFPSPH-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.01
Rot. Bonds10

About 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol

1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 167933634) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID167933634
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(Cc1ccccc1)C(CO)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-17(2)25-16-20(24)14-22(13-18-9-5-3-6-10-18)21(15-23)19-11-7-4-8-12-19/h3-12,17,20-21,23-24H,13-16H2,1-2H3
InChIKeyZFJMCLXBQFPSPH-UHFFFAOYSA-N
XLogP3.01
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007720
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
(2S)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 93164988
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol
CID 11314906
(2R)-2-(diethylamino)-2-phenylethanol
CID 13119692
(2R)-2-[amino(benzyl)amino]-2-phenylethanol
CID 15856855
(2S)-1-[benzyl-[(2,3-dimethoxyphenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93164577
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 167933634) is 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(Cc1ccccc1)C(CO)c1ccccc1.
What is the InChIKey of 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ZFJMCLXBQFPSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-17(2)25-16-20(24)14-22(13-18-9-5-3-6-10-18)21(15-23)19-11-7-4-8-12-19/h3-12,17,20-21,23-24H,13-16H2,1-2H3.
What are the key properties of 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 167933634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).