N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine

C15H22N4 — CID 114687384

IUPACN-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccccc1C)NC
InChIInChI=1S/C15H22N4/c1-4-9-19-15(11-17-18-19)14(16-3)10-13-8-6-5-7-12(13)2/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyXEKZITAVRIUKRV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.50
Rot. Bonds6

About N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine

N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 114687384) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID114687384
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccccc1C)NC
InChIInChI=1S/C15H22N4/c1-4-9-19-15(11-17-18-19)14(16-3)10-13-8-6-5-7-12(13)2/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyXEKZITAVRIUKRV-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-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

N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182279
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038787
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
CID 114687409
N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114687624
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine (CID 114687384) is N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(Cc1ccccc1C)NC.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is XEKZITAVRIUKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-9-19-15(11-17-18-19)14(16-3)10-13-8-6-5-7-12(13)2/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine?
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).