2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine

C15H22N4O — CID 106598278

IUPAC2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(COc2ncn(C)n2)cc1
InChIInChI=1S/C15H22N4O/c1-12(2)8-16-9-13-4-6-14(7-5-13)10-20-15-17-11-19(3)18-15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyFVRYAHFEPZIJAJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.14
Rot. Bonds7

About 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 106598278) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
PubChem CID106598278
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(COc2ncn(C)n2)cc1
InChIInChI=1S/C15H22N4O/c1-12(2)8-16-9-13-4-6-14(7-5-13)10-20-15-17-11-19(3)18-15/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyFVRYAHFEPZIJAJ-UHFFFAOYSA-N
XLogP2.14
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-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

2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106597985
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-3-pyridinyl]methyl]ethanamine
CID 106598447
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102986816
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884557
N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 106598409
2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 81342245
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine (CID 106598278) is 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine is CC(C)CNCc1ccc(COc2ncn(C)n2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is FVRYAHFEPZIJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(2)8-16-9-13-4-6-14(7-5-13)10-20-15-17-11-19(3)18-15/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106598278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).