1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine

C13H18N4O2 — CID 107063932

IUPAC1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cn(C)nn2)c(OC)c1
InChIInChI=1S/C13H18N4O2/c1-17-8-9(15-16-17)6-12(14)11-5-4-10(18-2)7-13(11)19-3/h4-5,7-8,12H,6,14H2,1-3H3
InChIKeyLXPWMPFUGQZZGI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.07
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107063932) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107063932
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(C(N)Cc2cn(C)nn2)c(OC)c1
InChIInChI=1S/C13H18N4O2/c1-17-8-9(15-16-17)6-12(14)11-5-4-10(18-2)7-13(11)19-3/h4-5,7-8,12H,6,14H2,1-3H3
InChIKeyLXPWMPFUGQZZGI-UHFFFAOYSA-N
XLogP1.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dimethoxyphenyl)-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)ethyl]hydrazine
CID 107066553
1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107048287
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
2-(1-methyltriazol-4-yl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 107064524
1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
4-(4-methoxyphenyl)-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063897
1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
1-(2,5-dimethoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62757409
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107063932) is 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine is COc1ccc(C(N)Cc2cn(C)nn2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is LXPWMPFUGQZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-8-9(15-16-17)6-12(14)11-5-4-10(18-2)7-13(11)19-3/h4-5,7-8,12H,6,14H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 262.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107063932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).