1,4-bis(1-phenylethylamino)butane-2,3-diol

C20H28N2O2 — CID 20833353

IUPAC1,4-bis(1-phenylethylamino)butane-2,3-diol
SMILESCC(NCC(O)C(O)CNC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15(17-9-5-3-6-10-17)21-13-19(23)20(24)14-22-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-24H,13-14H2,1-2H3
InChIKeyYYRPYLTZDMTOFU-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.41
Rot. Bonds9

About 1,4-bis(1-phenylethylamino)butane-2,3-diol

1,4-bis(1-phenylethylamino)butane-2,3-diol (PubChem CID 20833353) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1,4-bis(1-phenylethylamino)butane-2,3-diol.

Molecular Properties

Compound Name1,4-bis(1-phenylethylamino)butane-2,3-diol
PubChem CID20833353
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1,4-bis(1-phenylethylamino)butane-2,3-diol
SMILESCC(NCC(O)C(O)CNC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c1-15(17-9-5-3-6-10-17)21-13-19(23)20(24)14-22-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-24H,13-14H2,1-2H3
InChIKeyYYRPYLTZDMTOFU-UHFFFAOYSA-N
XLogP2.41
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
3-methyl-1-[1-(4-phenylphenyl)ethylamino]butan-2-ol
CID 115720487
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
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
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
2-phenyl-3-[[(1R)-1-phenylethyl]amino]propanoic acid
CID 78996615
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1-phenylethylamino)butane-2,3-diol?
The IUPAC name of 1,4-bis(1-phenylethylamino)butane-2,3-diol (CID 20833353) is 1,4-bis(1-phenylethylamino)butane-2,3-diol.
What is the SMILES notation for 1,4-bis(1-phenylethylamino)butane-2,3-diol?
The canonical SMILES for 1,4-bis(1-phenylethylamino)butane-2,3-diol is CC(NCC(O)C(O)CNC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-bis(1-phenylethylamino)butane-2,3-diol?
The InChIKey is YYRPYLTZDMTOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15(17-9-5-3-6-10-17)21-13-19(23)20(24)14-22-16(2)18-11-7-4-8-12-18/h3-12,15-16,19-24H,13-14H2,1-2H3.
What are the key properties of 1,4-bis(1-phenylethylamino)butane-2,3-diol?
1,4-bis(1-phenylethylamino)butane-2,3-diol has a molecular weight of 328.46 g/mol, XLogP of 2.41, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1-phenylethylamino)butane-2,3-diol is sourced from PubChem (CID 20833353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).