3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine

C14H20N4O — CID 105043353

IUPAC3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cnnn1C
InChIInChI=1S/C14H20N4O/c1-15-13(14-10-16-17-18(14)2)9-6-11-4-7-12(19-3)8-5-11/h4-5,7-8,10,13,15H,6,9H2,1-3H3
InChIKeyVWXRIJCEYSHFSA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.72
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine

3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine (PubChem CID 105043353) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine
PubChem CID105043353
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1cnnn1C
InChIInChI=1S/C14H20N4O/c1-15-13(14-10-16-17-18(14)2)9-6-11-4-7-12(19-3)8-5-11/h4-5,7-8,10,13,15H,6,9H2,1-3H3
InChIKeyVWXRIJCEYSHFSA-UHFFFAOYSA-N
XLogP1.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-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

Related Compounds

3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043651
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
3-(4-methoxyphenyl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446084
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(1-ethylimidazol-2-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115860096
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419
2-(4-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682028
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480428
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine (CID 105043353) is 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine is CNC(CCc1ccc(OC)cc1)c1cnnn1C.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine?
The InChIKey is VWXRIJCEYSHFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-15-13(14-10-16-17-18(14)2)9-6-11-4-7-12(19-3)8-5-11/h4-5,7-8,10,13,15H,6,9H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine?
3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 105043353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).