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

C19H21ClN4 — CID 124805517

IUPACN-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C19H21ClN4/c1-14(2)21-12-18-19(15-8-4-3-5-9-15)23-24(22-18)13-16-10-6-7-11-17(16)20/h3-11,14,21H,12-13H2,1-2H3
InChIKeyJXGNWMIHGIQCNS-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.14
Rot. Bonds6

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

N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine (PubChem CID 124805517) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
PubChem CID124805517
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC NameN-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C19H21ClN4/c1-14(2)21-12-18-19(15-8-4-3-5-9-15)23-24(22-18)13-16-10-6-7-11-17(16)20/h3-11,14,21H,12-13H2,1-2H3
InChIKeyJXGNWMIHGIQCNS-UHFFFAOYSA-N
XLogP4.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine
CID 124810179
(2S)-2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124821957
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
CID 124895872
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
CID 94074032
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]heptan-1-amine
CID 124823879
(1S)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824295
(2R)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821453
(2S)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 124821452
(1S)-N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylethanamine
CID 124824981
(3S,5R)-N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-3,5-dimethyladamantan-1-amine
CID 124911532
2-[2-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]ethoxy]ethanol
CID 124786723
(2R)-2-[[2-[(2,6-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]butan-1-ol
CID 124822746

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine (CID 124805517) is N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine is CC(C)NCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
The InChIKey is JXGNWMIHGIQCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-14(2)21-12-18-19(15-8-4-3-5-9-15)23-24(22-18)13-16-10-6-7-11-17(16)20/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine?
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine has a molecular weight of 340.86 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 124805517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).