1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol

C19H26N2O — CID 15470316

IUPAC1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)CN[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-15(17-9-5-3-6-10-17)20-13-19(22)14-21-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-22H,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyWCDHEYGAWJJMQW-HOTGVXAUSA-N
MW298.43 g/mol
LogP3.05
Rot. Bonds8

About 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol

1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol (PubChem CID 15470316) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
PubChem CID15470316
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)CN[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-15(17-9-5-3-6-10-17)20-13-19(22)14-21-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-22H,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyWCDHEYGAWJJMQW-HOTGVXAUSA-N
XLogP3.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 8741564
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol?
The IUPAC name of 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol (CID 15470316) is 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol?
The canonical SMILES for 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol is C[C@H](NCC(O)CN[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol?
The InChIKey is WCDHEYGAWJJMQW-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(17-9-5-3-6-10-17)20-13-19(22)14-21-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-22H,13-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol?
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol has a molecular weight of 298.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol is sourced from PubChem (CID 15470316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).