1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine

C14H23NO — CID 79197545

IUPAC1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(C)cc(C)c1)C(C)(C)OC
InChIInChI=1S/C14H23NO/c1-10-7-11(2)9-12(8-10)13(15-5)14(3,4)16-6/h7-9,13,15H,1-6H3
InChIKeyCAYWZYAUTBEOBY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine

1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine (PubChem CID 79197545) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
PubChem CID79197545
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
SMILESCNC(c1cc(C)cc(C)c1)C(C)(C)OC
InChIInChI=1S/C14H23NO/c1-10-7-11(2)9-12(8-10)13(15-5)14(3,4)16-6/h7-9,13,15H,1-6H3
InChIKeyCAYWZYAUTBEOBY-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-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 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine (CID 79197545) is 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine is CNC(c1cc(C)cc(C)c1)C(C)(C)OC.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
The InChIKey is CAYWZYAUTBEOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-11(2)9-12(8-10)13(15-5)14(3,4)16-6/h7-9,13,15H,1-6H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine?
1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79197545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).