N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine

C23H21ClN4 — CID 124895280

IUPACN-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
SMILESClc1cccc(Cn2nc(CNCc3ccccc3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C23H21ClN4/c24-21-13-7-10-19(14-21)17-28-26-22(16-25-15-18-8-3-1-4-9-18)23(27-28)20-11-5-2-6-12-20/h1-14,25H,15-17H2
InChIKeyFPAVOYOVMHNFDB-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.94
Rot. Bonds7

About N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine

N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 124895280) has the molecular formula C23H21ClN4 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID124895280
Molecular FormulaC23H21ClN4
Molecular Weight388.90 g/mol
Exact Mass388.15
IUPAC NameN-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
SMILESClc1cccc(Cn2nc(CNCc3ccccc3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C23H21ClN4/c24-21-13-7-10-19(14-21)17-28-26-22(16-25-15-18-8-3-1-4-9-18)23(27-28)20-11-5-2-6-12-20/h1-14,25H,15-17H2
InChIKeyFPAVOYOVMHNFDB-UHFFFAOYSA-N
XLogP4.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124826431
5-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]pentan-1-ol
CID 124787682
N-[[2-[(3-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine
CID 124800161
3-butoxy-N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 124822323
2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 124821107
(2S)-2-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821510
(1R)-N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylbutan-1-amine
CID 124824014
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 125114203
N-[[2-[(4-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]ethanamine
CID 124826046
1-(1,3-benzodioxol-5-yl)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]methanamine
CID 124811710
4-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124787503

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine (CID 124895280) is N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine is Clc1cccc(Cn2nc(CNCc3ccccc3)c(-c3ccccc3)n2)c1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is FPAVOYOVMHNFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4/c24-21-13-7-10-19(14-21)17-28-26-22(16-25-15-18-8-3-1-4-9-18)23(27-28)20-11-5-2-6-12-20/h1-14,25H,15-17H2.
What are the key properties of N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine?
N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 388.90 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 124895280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).