2-chloro-N-[(4-fluorophenyl)methyl]aniline

C13H11ClFN — CID 23907159

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClFN/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8,16H,9H2
InChIKeyCVEIHFFBWNNUJV-UHFFFAOYSA-N
MW235.69 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-N-[(4-fluorophenyl)methyl]aniline

2-chloro-N-[(4-fluorophenyl)methyl]aniline (PubChem CID 23907159) has the molecular formula C13H11ClFN and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]aniline
PubChem CID23907159
Molecular FormulaC13H11ClFN
Molecular Weight235.69 g/mol
Exact Mass235.06
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2ccccc2Cl)cc1
InChIInChI=1S/C13H11ClFN/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8,16H,9H2
InChIKeyCVEIHFFBWNNUJV-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]aniline (CID 23907159) is 2-chloro-N-[(4-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]aniline is Fc1ccc(CNc2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]aniline?
The InChIKey is CVEIHFFBWNNUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN/c14-12-3-1-2-4-13(12)16-9-10-5-7-11(15)8-6-10/h1-8,16H,9H2.
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]aniline?
2-chloro-N-[(4-fluorophenyl)methyl]aniline has a molecular weight of 235.69 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]aniline is sourced from PubChem (CID 23907159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).