1-(benzylamino)-3-phenylmethoxypropan-2-ol

C17H21NO2 — CID 3055735

IUPAC1-(benzylamino)-3-phenylmethoxypropan-2-ol
SMILESOC(CNCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C17H21NO2/c19-17(12-18-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKeyRBWDXIHJXAZLIR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.35
Rot. Bonds8

About 1-(benzylamino)-3-phenylmethoxypropan-2-ol

1-(benzylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 3055735) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(benzylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-phenylmethoxypropan-2-ol
PubChem CID3055735
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(benzylamino)-3-phenylmethoxypropan-2-ol
SMILESOC(CNCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C17H21NO2/c19-17(12-18-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKeyRBWDXIHJXAZLIR-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzylamino)-1-phenylethanol
CID 229746
3-Benzyloxy-2-phenyl-piperidine
CID 44331794
1-Benzhydryloxy-3-(diethylamino)propan-2-ol
CID 4963216
1-(Benzylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol;hydrochloride
CID 16196687
1-Benzylamino-3-phenoxy-propan-2-ol
CID 6610787
2-Propanol, 1-[(1-methylethyl)amino]-3-(phenylmethoxy)-
CID 551640
2-Phenyl-3-(1-phenyl-ethoxy)-piperidine
CID 44331715
1-[(4-Chlorobenzyl)oxy]-3-[(1-phenylethyl)amino]-2-propanol hydrochloride
CID 2882809
1-(Dimethylamino)-3-(diphenylmethoxy)-2-propanol
CID 4316674
(2R,3R,4S)-2-[[[(1R)-1-phenyl-2-phenylmethoxyethyl]amino]methyl]pyrrolidine-3,4-diol
CID 11416597
(2R,3R,4S)-2-[[[(1R)-2-[(3-fluorophenyl)methoxy]-1-phenylethyl]amino]methyl]pyrrolidine-3,4-diol
CID 11485203
(1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol
CID 14201547

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(benzylamino)-3-phenylmethoxypropan-2-ol (CID 3055735) is 1-(benzylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-phenylmethoxypropan-2-ol is OC(CNCc1ccccc1)COCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is RBWDXIHJXAZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(12-18-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2.
What are the key properties of 1-(benzylamino)-3-phenylmethoxypropan-2-ol?
1-(benzylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 3055735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).