2-methyl-1,3-diphenoxypropan-2-amine

C16H19NO2 — CID 20768978

IUPAC2-methyl-1,3-diphenoxypropan-2-amine
SMILESCC(N)(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C16H19NO2/c1-16(17,12-18-14-8-4-2-5-9-14)13-19-15-10-6-3-7-11-15/h2-11H,12-13,17H2,1H3
InChIKeyGHDVIWUDNXJMQI-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.86
Rot. Bonds6

About 2-methyl-1,3-diphenoxypropan-2-amine

2-methyl-1,3-diphenoxypropan-2-amine (PubChem CID 20768978) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-methyl-1,3-diphenoxypropan-2-amine.

Molecular Properties

Compound Name2-methyl-1,3-diphenoxypropan-2-amine
PubChem CID20768978
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-methyl-1,3-diphenoxypropan-2-amine
SMILESCC(N)(COc1ccccc1)COc1ccccc1
InChIInChI=1S/C16H19NO2/c1-16(17,12-18-14-8-4-2-5-9-14)13-19-15-10-6-3-7-11-15/h2-11H,12-13,17H2,1H3
InChIKeyGHDVIWUDNXJMQI-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1,3-diphenoxypropan-2-amine 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 2-methyl-1,3-diphenoxypropan-2-amine?
The IUPAC name of 2-methyl-1,3-diphenoxypropan-2-amine (CID 20768978) is 2-methyl-1,3-diphenoxypropan-2-amine.
What is the SMILES notation for 2-methyl-1,3-diphenoxypropan-2-amine?
The canonical SMILES for 2-methyl-1,3-diphenoxypropan-2-amine is CC(N)(COc1ccccc1)COc1ccccc1.
What is the InChIKey of 2-methyl-1,3-diphenoxypropan-2-amine?
The InChIKey is GHDVIWUDNXJMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(17,12-18-14-8-4-2-5-9-14)13-19-15-10-6-3-7-11-15/h2-11H,12-13,17H2,1H3.
What are the key properties of 2-methyl-1,3-diphenoxypropan-2-amine?
2-methyl-1,3-diphenoxypropan-2-amine has a molecular weight of 257.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-diphenoxypropan-2-amine is sourced from PubChem (CID 20768978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).