N-[(2-fluorophenyl)methyl]aniline

C13H12FN — CID 4711891

IUPACN-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1ccccc1
InChIInChI=1S/C13H12FN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKeyHPLOQKBWLYWYHE-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.44
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]aniline

N-[(2-fluorophenyl)methyl]aniline (PubChem CID 4711891) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]aniline
PubChem CID4711891
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC NameN-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1ccccc1
InChIInChI=1S/C13H12FN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKeyHPLOQKBWLYWYHE-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]aniline?
The IUPAC name of N-[(2-fluorophenyl)methyl]aniline (CID 4711891) is N-[(2-fluorophenyl)methyl]aniline.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]aniline?
The canonical SMILES for N-[(2-fluorophenyl)methyl]aniline is Fc1ccccc1CNc1ccccc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]aniline?
The InChIKey is HPLOQKBWLYWYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2.
What are the key properties of N-[(2-fluorophenyl)methyl]aniline?
N-[(2-fluorophenyl)methyl]aniline has a molecular weight of 201.24 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 4711891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).