1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C13H18N4O — CID 171328455

IUPAC1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2ncnn2C)c1
InChIInChI=1S/C13H18N4O/c1-16(9-13-14-10-15-17(13)2)8-11-5-4-6-12(7-11)18-3/h4-7,10H,8-9H2,1-3H3
InChIKeySMNGXJXAUYGDSA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.46
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 171328455) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID171328455
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2ncnn2C)c1
InChIInChI=1S/C13H18N4O/c1-16(9-13-14-10-15-17(13)2)8-11-5-4-6-12(7-11)18-3/h4-7,10H,8-9H2,1-3H3
InChIKeySMNGXJXAUYGDSA-UHFFFAOYSA-N
XLogP1.46
TPSA43.18 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine 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-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
CID 111512470
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 62208653
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
CID 171328466
1-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111705628
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111707554
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 171328455) is 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine is COc1cccc(CN(C)Cc2ncnn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is SMNGXJXAUYGDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16(9-13-14-10-15-17(13)2)8-11-5-4-6-12(7-11)18-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 171328455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).