N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline

C16H15FN4 — CID 43707229

IUPACN-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C16H15FN4/c1-21-11-19-20-16(21)14-7-2-3-8-15(14)18-10-12-5-4-6-13(17)9-12/h2-9,11,18H,10H2,1H3
InChIKeySFEISXWMHVXYPN-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.23
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline

N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline (PubChem CID 43707229) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
PubChem CID43707229
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
SMILESCn1cnnc1-c1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C16H15FN4/c1-21-11-19-20-16(21)14-7-2-3-8-15(14)18-10-12-5-4-6-13(17)9-12/h2-9,11,18H,10H2,1H3
InChIKeySFEISXWMHVXYPN-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131944894
cis-(1R,2S)-2-(3-fluorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 95245273
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678194
N-(cyclopropylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707390
5-[[2-(4-methyl-1,2,4-triazol-3-yl)anilino]methyl]thiophene-3-carbonitrile
CID 79611378
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329024
N-[(3-fluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968207
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441578
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188
1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126966938

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline (CID 43707229) is N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline is Cn1cnnc1-c1ccccc1NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is SFEISXWMHVXYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-21-11-19-20-16(21)14-7-2-3-8-15(14)18-10-12-5-4-6-13(17)9-12/h2-9,11,18H,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline?
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 282.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 43707229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).