1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol

C24H28N2O — CID 19430166

IUPAC1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol
SMILESNCC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O/c25-17-24(27)23(16-20-10-4-1-5-11-20)26(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-15,23-24,27H,16-19,25H2
InChIKeyIJZCOTLNJJSYNT-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.62
Rot. Bonds9

About 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol

1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol (PubChem CID 19430166) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol
PubChem CID19430166
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol
SMILESNCC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O/c25-17-24(27)23(16-20-10-4-1-5-11-20)26(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-15,23-24,27H,16-19,25H2
InChIKeyIJZCOTLNJJSYNT-UHFFFAOYSA-N
XLogP3.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
The IUPAC name of 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol (CID 19430166) is 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
The canonical SMILES for 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol is NCC(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
The InChIKey is IJZCOTLNJJSYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c25-17-24(27)23(16-20-10-4-1-5-11-20)26(18-21-12-6-2-7-13-21)19-22-14-8-3-9-15-22/h1-15,23-24,27H,16-19,25H2.
What are the key properties of 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol has a molecular weight of 360.50 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol is sourced from PubChem (CID 19430166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).