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

C13H18N4O — CID 105043651

IUPAC3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cnnn2C)cc1
InChIInChI=1S/C13H18N4O/c1-17-13(9-15-16-17)12(14)8-5-10-3-6-11(18-2)7-4-10/h3-4,6-7,9,12H,5,8,14H2,1-2H3
InChIKeyLBCALAKTPJBBJI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds5

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

3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine (PubChem CID 105043651) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
PubChem CID105043651
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cnnn2C)cc1
InChIInChI=1S/C13H18N4O/c1-17-13(9-15-16-17)12(14)8-5-10-3-6-11(18-2)7-4-10/h3-4,6-7,9,12H,5,8,14H2,1-2H3
InChIKeyLBCALAKTPJBBJI-UHFFFAOYSA-N
XLogP1.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methyltriazol-4-yl)-3-phenylpropan-1-amine
CID 114687299
3-(4-methoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043353
(4-methoxyphenyl)-(3-methyltriazol-4-yl)methanamine
CID 114686850
3-(4-methoxyphenyl)-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82896236
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine
CID 114687245
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
2-(4-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682028

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine (CID 105043651) is 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine is COc1ccc(CCC(N)c2cnnn2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine?
The InChIKey is LBCALAKTPJBBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-13(9-15-16-17)12(14)8-5-10-3-6-11(18-2)7-4-10/h3-4,6-7,9,12H,5,8,14H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine?
3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 105043651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).