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

C16H15FN4 — CID 43673353

IUPACN-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESFc1cccc(CNc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C16H15FN4/c17-15-3-1-2-14(8-15)9-19-16-6-4-13(5-7-16)10-21-12-18-11-20-21/h1-8,11-12,19H,9-10H2
InChIKeyONDXYPKHKWDICM-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.08
Rot. Bonds5

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

N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline (PubChem CID 43673353) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
PubChem CID43673353
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
SMILESFc1cccc(CNc2ccc(Cn3cncn3)cc2)c1
InChIInChI=1S/C16H15FN4/c17-15-3-1-2-14(8-15)9-19-16-6-4-13(5-7-16)10-21-12-18-11-20-21/h1-8,11-12,19H,9-10H2
InChIKeyONDXYPKHKWDICM-UHFFFAOYSA-N
XLogP3.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673352
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
N-(thiophen-2-ylmethyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673369
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
N-[(3-methylimidazol-4-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 66116387
N-(thiophen-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866352
N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62564168
N-[(3-fluorophenyl)methyl]-4-methylaniline
CID 23255338
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
N-[(5-methylfuran-2-yl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673373

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline (CID 43673353) is N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline is Fc1cccc(CNc2ccc(Cn3cncn3)cc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
The InChIKey is ONDXYPKHKWDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-15-3-1-2-14(8-15)9-19-16-6-4-13(5-7-16)10-21-12-18-11-20-21/h1-8,11-12,19H,9-10H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline?
N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline has a molecular weight of 282.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline is sourced from PubChem (CID 43673353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).