2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine

C20H24N4O — CID 124817694

IUPAC2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H24N4O/c1-16-8-10-17(11-9-16)15-24-22-19(14-21-12-13-25-2)20(23-24)18-6-4-3-5-7-18/h3-11,21H,12-15H2,1-2H3
InChIKeyWXSFKDAPKHMIPI-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.04
Rot. Bonds8

About 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine

2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine (PubChem CID 124817694) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
PubChem CID124817694
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1
InChIInChI=1S/C20H24N4O/c1-16-8-10-17(11-9-16)15-24-22-19(14-21-12-13-25-2)20(23-24)18-6-4-3-5-7-18/h3-11,21H,12-15H2,1-2H3
InChIKeyWXSFKDAPKHMIPI-UHFFFAOYSA-N
XLogP3.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethanol
CID 124811393
N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-methoxyethanamine
CID 124790090
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114304
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-pyridin-2-ylmethanamine
CID 125114228
3-imidazol-1-yl-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 125115068
N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3-methoxypropan-1-amine
CID 124797378
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132910686
3-ethoxy-N-[[2-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 124826120
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124816332
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124800161

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine (CID 124817694) is 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine is COCCNCc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine?
The InChIKey is WXSFKDAPKHMIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-8-10-17(11-9-16)15-24-22-19(14-21-12-13-25-2)20(23-24)18-6-4-3-5-7-18/h3-11,21H,12-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine has a molecular weight of 336.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 124817694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).