1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine

C16H15FN4 — CID 105088239

IUPAC1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ccc(F)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H15FN4/c1-18-16(12-7-9-13(17)10-8-12)15-11-19-21(20-15)14-5-3-2-4-6-14/h2-11,16,18H,1H3
InChIKeyUKYCYBXCHTZQEZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine

1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine (PubChem CID 105088239) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
PubChem CID105088239
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
SMILESCNC(c1ccc(F)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H15FN4/c1-18-16(12-7-9-13(17)10-8-12)15-11-19-21(20-15)14-5-3-2-4-6-14/h2-11,16,18H,1H3
InChIKeyUKYCYBXCHTZQEZ-UHFFFAOYSA-N
XLogP2.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)methanamine
CID 105148730
1-(cyclohexen-1-yl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 106657394
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292082
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
N,5-dimethyl-1-(2-phenyltriazol-4-yl)hexan-1-amine
CID 105177169
1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114219126
[2-(2-methyltetrazol-5-yl)-1-(2-phenyltriazol-4-yl)ethyl]hydrazine
CID 107066810
[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105308192
N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149998
4-pentan-2-yl-2-phenyltriazole
CID 163429787

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine (CID 105088239) is 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine is CNC(c1ccc(F)cc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
The InChIKey is UKYCYBXCHTZQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-18-16(12-7-9-13(17)10-8-12)15-11-19-21(20-15)14-5-3-2-4-6-14/h2-11,16,18H,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine?
1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine has a molecular weight of 282.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 105088239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).