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

C16H19NO — CID 10331928

IUPAC(2R,3S)-3-amino-1,4-diphenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2/t15-,16+/m0/s1
InChIKeyYASZJQILMBBZMV-JKSUJKDBSA-N
MW241.33 g/mol
LogP2.16
Rot. Bonds5

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

(2R,3S)-3-amino-1,4-diphenylbutan-2-ol (PubChem CID 10331928) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R,3S)-3-amino-1,4-diphenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1,4-diphenylbutan-2-ol
PubChem CID10331928
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2R,3S)-3-amino-1,4-diphenylbutan-2-ol
SMILESN[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2/t15-,16+/m0/s1
InChIKeyYASZJQILMBBZMV-JKSUJKDBSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1,4-diphenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1,4-diphenylbutan-2-ol (CID 10331928) is (2R,3S)-3-amino-1,4-diphenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1,4-diphenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1,4-diphenylbutan-2-ol is N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1.
What is the InChIKey of (2R,3S)-3-amino-1,4-diphenylbutan-2-ol?
The InChIKey is YASZJQILMBBZMV-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H19NO/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2/t15-,16+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1,4-diphenylbutan-2-ol?
(2R,3S)-3-amino-1,4-diphenylbutan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1,4-diphenylbutan-2-ol is sourced from PubChem (CID 10331928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).