1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine

C14H20N4O — CID 107048713

IUPAC1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCNC(Cc1cn(C)nn1)Cc1ccccc1OC
InChIInChI=1S/C14H20N4O/c1-15-12(9-13-10-18(2)17-16-13)8-11-6-4-5-7-14(11)19-3/h4-7,10,12,15H,8-9H2,1-3H3
InChIKeyLTTWOHBQWFBJMC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.20
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine

1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine (PubChem CID 107048713) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
PubChem CID107048713
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
SMILESCNC(Cc1cn(C)nn1)Cc1ccccc1OC
InChIInChI=1S/C14H20N4O/c1-15-12(9-13-10-18(2)17-16-13)8-11-6-4-5-7-14(11)19-3/h4-7,10,12,15H,8-9H2,1-3H3
InChIKeyLTTWOHBQWFBJMC-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-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

1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
CID 107064246
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62692992
N-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
(1S)-1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 81397730
4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107048753
N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026
1-(2-methoxyphenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 62473638

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine (CID 107048713) is 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine is CNC(Cc1cn(C)nn1)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
The InChIKey is LTTWOHBQWFBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-15-12(9-13-10-18(2)17-16-13)8-11-6-4-5-7-14(11)19-3/h4-7,10,12,15H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine?
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine is sourced from PubChem (CID 107048713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).