3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine

C15H26N2O2 — CID 102697111

IUPAC3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)NCC(C)OC)cc1
InChIInChI=1S/C15H26N2O2/c1-12(18-3)10-17-15(2,11-16)9-13-5-7-14(19-4)8-6-13/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyHCMSQRNRVNMQHN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.58
Rot. Bonds8

About 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine

3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine (PubChem CID 102697111) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine
PubChem CID102697111
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)NCC(C)OC)cc1
InChIInChI=1S/C15H26N2O2/c1-12(18-3)10-17-15(2,11-16)9-13-5-7-14(19-4)8-6-13/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyHCMSQRNRVNMQHN-UHFFFAOYSA-N
XLogP1.58
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine 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-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine (CID 102697111) is 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine is COc1ccc(CC(C)(CN)NCC(C)OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
The InChIKey is HCMSQRNRVNMQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(18-3)10-17-15(2,11-16)9-13-5-7-14(19-4)8-6-13/h5-8,12,17H,9-11,16H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 102697111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).