[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride

C22H30ClNO2 — CID 11639413

IUPAC[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
SMILESCCC(OC(C)=O)C(CC(C)NC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H
InChIKeyQOWPUUFVFLIYRR-UHFFFAOYSA-N
MW375.94 g/mol
LogP4.73
Rot. Bonds8

About [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride

[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride (PubChem CID 11639413) has the molecular formula C22H30ClNO2 and a molecular weight of 375.94 g/mol. Its IUPAC name is [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride.

Molecular Properties

Compound Name[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
PubChem CID11639413
Molecular FormulaC22H30ClNO2
Molecular Weight375.94 g/mol
Exact Mass375.20
IUPAC Name[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
SMILESCCC(OC(C)=O)C(CC(C)NC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H
InChIKeyQOWPUUFVFLIYRR-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride 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 [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride?
The IUPAC name of [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride (CID 11639413) is [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride.
What is the SMILES notation for [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride?
The canonical SMILES for [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride is CCC(OC(C)=O)C(CC(C)NC)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride?
The InChIKey is QOWPUUFVFLIYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.ClH/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,17,21,23H,5,16H2,1-4H3;1H.
What are the key properties of [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride?
[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride has a molecular weight of 375.94 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride is sourced from PubChem (CID 11639413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).