3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol

C23H31NO2 — CID 3103782

IUPAC3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol
SMILESCC1(C)CC(c2ccccc2)(C(CO)CNCc2ccccc2)CCO1
InChIInChI=1S/C23H31NO2/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19/h3-12,21,24-25H,13-18H2,1-2H3
InChIKeyVYAMDNWUSLNDGW-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.91
Rot. Bonds7

About 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol

3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol (PubChem CID 3103782) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol
PubChem CID3103782
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol
SMILESCC1(C)CC(c2ccccc2)(C(CO)CNCc2ccccc2)CCO1
InChIInChI=1S/C23H31NO2/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19/h3-12,21,24-25H,13-18H2,1-2H3
InChIKeyVYAMDNWUSLNDGW-UHFFFAOYSA-N
XLogP3.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-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-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol?
The IUPAC name of 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol (CID 3103782) is 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol?
The canonical SMILES for 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol is CC1(C)CC(c2ccccc2)(C(CO)CNCc2ccccc2)CCO1.
What is the InChIKey of 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol?
The InChIKey is VYAMDNWUSLNDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-22(2)18-23(13-14-26-22,20-11-7-4-8-12-20)21(17-25)16-24-15-19-9-5-3-6-10-19/h3-12,21,24-25H,13-18H2,1-2H3.
What are the key properties of 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol?
3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol has a molecular weight of 353.51 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-(2,2-dimethyl-4-phenyloxan-4-yl)propan-1-ol is sourced from PubChem (CID 3103782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).