N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline

C16H15FN4 — CID 43740372

IUPACN-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline
SMILESCC(Nc1ccc(-n2nccn2)cc1)c1ccccc1F
InChIInChI=1S/C16H15FN4/c1-12(15-4-2-3-5-16(15)17)20-13-6-8-14(9-7-13)21-18-10-11-19-21/h2-12,20H,1H3
InChIKeyOELVMTYZZFFXBX-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.58
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline

N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline (PubChem CID 43740372) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline
PubChem CID43740372
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline
SMILESCC(Nc1ccc(-n2nccn2)cc1)c1ccccc1F
InChIInChI=1S/C16H15FN4/c1-12(15-4-2-3-5-16(15)17)20-13-6-8-14(9-7-13)21-18-10-11-19-21/h2-12,20H,1H3
InChIKeyOELVMTYZZFFXBX-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline (CID 43740372) is N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline is CC(Nc1ccc(-n2nccn2)cc1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline?
The InChIKey is OELVMTYZZFFXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-12(15-4-2-3-5-16(15)17)20-13-6-8-14(9-7-13)21-18-10-11-19-21/h2-12,20H,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline?
N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline has a molecular weight of 282.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).