1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

C13H18N4O — CID 107064200

IUPAC1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1cn(C)nn1
InChIInChI=1S/C13H18N4O/c1-9-4-5-13(18-3)11(6-9)12(14)7-10-8-17(2)16-15-10/h4-6,8,12H,7,14H2,1-3H3
InChIKeyBWYRELLCHXDMPY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.37
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107064200) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107064200
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(C)cc1C(N)Cc1cn(C)nn1
InChIInChI=1S/C13H18N4O/c1-9-4-5-13(18-3)11(6-9)12(14)7-10-8-17(2)16-15-10/h4-6,8,12H,7,14H2,1-3H3
InChIKeyBWYRELLCHXDMPY-UHFFFAOYSA-N
XLogP1.37
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine 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

1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932
2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 107064524
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107051522
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105023464
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 102803133
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 60872721
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
1-(2-methoxy-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002995
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107064200) is 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is COc1ccc(C)cc1C(N)Cc1cn(C)nn1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is BWYRELLCHXDMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-4-5-13(18-3)11(6-9)12(14)7-10-8-17(2)16-15-10/h4-6,8,12H,7,14H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107064200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).