3-amino-3,4-diphenylbutan-1-ol

C16H19NO — CID 65239678

IUPAC3-amino-3,4-diphenylbutan-1-ol
SMILESNC(CCO)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c17-16(11-12-18,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,18H,11-13,17H2
InChIKeyFXDLIYLNQAUPQN-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.47
Rot. Bonds5

About 3-amino-3,4-diphenylbutan-1-ol

3-amino-3,4-diphenylbutan-1-ol (PubChem CID 65239678) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-3,4-diphenylbutan-1-ol.

Molecular Properties

Compound Name3-amino-3,4-diphenylbutan-1-ol
PubChem CID65239678
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-amino-3,4-diphenylbutan-1-ol
SMILESNC(CCO)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c17-16(11-12-18,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,18H,11-13,17H2
InChIKeyFXDLIYLNQAUPQN-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-3,4-diphenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-diphenylbutan-1-ol?
The IUPAC name of 3-amino-3,4-diphenylbutan-1-ol (CID 65239678) is 3-amino-3,4-diphenylbutan-1-ol.
What is the SMILES notation for 3-amino-3,4-diphenylbutan-1-ol?
The canonical SMILES for 3-amino-3,4-diphenylbutan-1-ol is NC(CCO)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-3,4-diphenylbutan-1-ol?
The InChIKey is FXDLIYLNQAUPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c17-16(11-12-18,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,18H,11-13,17H2.
What are the key properties of 3-amino-3,4-diphenylbutan-1-ol?
3-amino-3,4-diphenylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-diphenylbutan-1-ol is sourced from PubChem (CID 65239678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).