(2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol

C24H28N2O — CID 11279881

IUPAC(2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol
SMILESNC[C@@H](O)[C@H](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/t23-,24+/m0/s1
InChIKeyIJZCOTLNJJSYNT-BJKOFHAPSA-N
MW360.50 g/mol
LogP3.62
Rot. Bonds9

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

(2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol (PubChem CID 11279881) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol
PubChem CID11279881
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name(2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol
SMILESNC[C@@H](O)[C@H](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/t23-,24+/m0/s1
InChIKeyIJZCOTLNJJSYNT-BJKOFHAPSA-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 (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol (CID 11279881) is (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol is NC[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
The InChIKey is IJZCOTLNJJSYNT-BJKOFHAPSA-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/t23-,24+/m0/s1.
What are the key properties of (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol?
(2R,3S)-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 (2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol is sourced from PubChem (CID 11279881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).