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

C17H21NO2 — CID 10707267

IUPAC(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](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/t17-/m0/s1
InChIKeyRBWDXIHJXAZLIR-KRWDZBQOSA-N
MW271.36 g/mol
LogP2.35
Rot. Bonds8

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

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 10707267) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
PubChem CID10707267
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](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/t17-/m0/s1
InChIKeyRBWDXIHJXAZLIR-KRWDZBQOSA-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

1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(benzylamino)-3-prop-2-enoxypropan-2-ol
CID 34178559
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
CID 42614671
1-[4-[(2-methylpropylamino)methyl]phenoxy]-3-phenylmethoxypropan-2-ol
CID 113235681
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol (CID 10707267) is (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol is O[C@@H](CNCc1ccccc1)COCc1ccccc1.
What is the InChIKey of (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is RBWDXIHJXAZLIR-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol?
(2S)-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 (2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 10707267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).