2-[(2-fluorophenyl)methyl]aniline

C13H12FN — CID 21497428

IUPAC2-[(2-fluorophenyl)methyl]aniline
SMILESNc1ccccc1Cc1ccccc1F
InChIInChI=1S/C13H12FN/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2
InChIKeyQUXBHIQVAZYAPE-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.00
Rot. Bonds2

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

2-[(2-fluorophenyl)methyl]aniline (PubChem CID 21497428) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]aniline
PubChem CID21497428
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name2-[(2-fluorophenyl)methyl]aniline
SMILESNc1ccccc1Cc1ccccc1F
InChIInChI=1S/C13H12FN/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2
InChIKeyQUXBHIQVAZYAPE-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
N-[(2-aminophenyl)methyl]-2,6-difluoroaniline
CID 66385039
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
5-chloro-3-[(2-fluorophenyl)methyl]-2-methylaniline
CID 154647758
2-[(2-iodophenyl)methyl]aniline
CID 69343574
6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 76974055
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970
4-[(2-fluorophenyl)methyl]-2-methylaniline
CID 134448573
2-[(2-fluorophenyl)methyl]pyrrol-1-amine
CID 19838770
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
2-[(4-chlorophenyl)methyl]aniline
CID 18412139

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]aniline?
The IUPAC name of 2-[(2-fluorophenyl)methyl]aniline (CID 21497428) is 2-[(2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]aniline?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]aniline is Nc1ccccc1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]aniline?
The InChIKey is QUXBHIQVAZYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9,15H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]aniline?
2-[(2-fluorophenyl)methyl]aniline has a molecular weight of 201.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 21497428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).