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

C18H23NO2 — CID 93381144

IUPAC(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](CNCCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H23NO2/c20-18(15-21-14-17-9-5-2-6-10-17)13-19-12-11-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2/t18-/m0/s1
InChIKeyMHJLWZPBPZUPKV-SFHVURJKSA-N
MW285.39 g/mol
LogP2.40
Rot. Bonds9

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

(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 93381144) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
PubChem CID93381144
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@@H](CNCCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H23NO2/c20-18(15-21-14-17-9-5-2-6-10-17)13-19-12-11-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2/t18-/m0/s1
InChIKeyMHJLWZPBPZUPKV-SFHVURJKSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
CID 171477760
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 102417589
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 80685680
2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]amino]ethyl hydrogen sulfate
CID 59382834
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol (CID 93381144) is (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol is O[C@@H](CNCCc1ccccc1)COCc1ccccc1.
What is the InChIKey of (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is MHJLWZPBPZUPKV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO2/c20-18(15-21-14-17-9-5-2-6-10-17)13-19-12-11-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2/t18-/m0/s1.
What are the key properties of (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol?
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 93381144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).