2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine

C15H22N4 — CID 115682655

IUPAC2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1nncc1CNC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-15(2,10-9-13-7-5-4-6-8-13)16-11-14-12-17-18-19(14)3/h4-8,12,16H,9-11H2,1-3H3
InChIKeyRVDHGCAVZHDQKY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.32
Rot. Bonds6

About 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine

2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine (PubChem CID 115682655) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
PubChem CID115682655
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
SMILESCn1nncc1CNC(C)(C)CCc1ccccc1
InChIInChI=1S/C15H22N4/c1-15(2,10-9-13-7-5-4-6-8-13)16-11-14-12-17-18-19(14)3/h4-8,12,16H,9-11H2,1-3H3
InChIKeyRVDHGCAVZHDQKY-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-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

N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115621711
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115690865
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741
3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
CID 115699079
N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 115682110
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
CID 115690864
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine (CID 115682655) is 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine is Cn1nncc1CNC(C)(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine?
The InChIKey is RVDHGCAVZHDQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2,10-9-13-7-5-4-6-8-13)16-11-14-12-17-18-19(14)3/h4-8,12,16H,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine?
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 115682655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).