2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine

C21H26N4 — CID 124818737

IUPAC2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1nc(CNC(C)(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C21H26N4/c1-16-10-8-9-13-18(16)15-25-23-19(14-22-21(2,3)4)20(24-25)17-11-6-5-7-12-17/h5-13,22H,14-15H2,1-4H3
InChIKeyCMZSVZBVLPOSRT-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.19
Rot. Bonds5

About 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine (PubChem CID 124818737) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
PubChem CID124818737
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1Cn1nc(CNC(C)(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C21H26N4/c1-16-10-8-9-13-18(16)15-25-23-19(14-22-21(2,3)4)20(24-25)17-11-6-5-7-12-17/h5-13,22H,14-15H2,1-4H3
InChIKeyCMZSVZBVLPOSRT-UHFFFAOYSA-N
XLogP4.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-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-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-methylpropan-2-amine
CID 124825153
N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114302
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124805517
2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 124822569
(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824981
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
CID 124895872
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124823879
2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 124821107
(2S)-2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821957
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826066
(1S)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine (CID 124818737) is 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine is Cc1ccccc1Cn1nc(CNC(C)(C)C)c(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
The InChIKey is CMZSVZBVLPOSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-16-10-8-9-13-18(16)15-25-23-19(14-22-21(2,3)4)20(24-25)17-11-6-5-7-12-17/h5-13,22H,14-15H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine has a molecular weight of 334.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 124818737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).