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

C15H22N4O — CID 126808384

IUPAC1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCc1cc(OC)ccc1CN(C)Cc1nncn1C
InChIInChI=1S/C15H22N4O/c1-5-12-8-14(20-4)7-6-13(12)9-18(2)10-15-17-16-11-19(15)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyKRMMFDGGMZZUDT-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.02
Rot. Bonds6

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

1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 126808384) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID126808384
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCc1cc(OC)ccc1CN(C)Cc1nncn1C
InChIInChI=1S/C15H22N4O/c1-5-12-8-14(20-4)7-6-13(12)9-18(2)10-15-17-16-11-19(15)3/h6-8,11H,5,9-10H2,1-4H3
InChIKeyKRMMFDGGMZZUDT-UHFFFAOYSA-N
XLogP2.02
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-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

methyl 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl ether
CID 2304109
[5-(4-Methoxy-2-methyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-propyl-[1-(4-trifluoromethyl-phenyl)-propyl]-amine
CID 11442212
[5-(4-Methoxy-2-methyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-butyl)-propyl-amine
CID 44388393
[5-(4-Methoxy-2-methyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-pentyl)-propyl-amine
CID 44388403
5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine;hydrochloride
CID 70682930
5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1R)-1-phenylbutyl]-N-propyl-1,2,4-triazol-3-amine;hydrochloride
CID 70684987
5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1S)-1-phenylbutyl]-N-propyl-1,2,4-triazol-3-amine;hydrochloride
CID 70687177
5-(4-methoxy-2-methylphenyl)-1-methyl-N-[(1S)-1-phenylpentyl]-N-propyl-1,2,4-triazol-3-amine;hydrochloride
CID 70693412
1-[[1-[(4-Methoxyphenyl)methyl]aziridin-2-yl]methyl]-1,2,4-triazole
CID 51039543
2-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 858593
1-[[1-[(4-Methoxyphenyl)methyl]tetrazol-5-yl]methyl]azepane
CID 1432580
1-[2-(4-Methoxyphenyl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 25961780

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 126808384) is 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CCc1cc(OC)ccc1CN(C)Cc1nncn1C.
What is the InChIKey of 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is KRMMFDGGMZZUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-12-8-14(20-4)7-6-13(12)9-18(2)10-15-17-16-11-19(15)3/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 274.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 126808384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).