2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline

C13H12ClFN2 — CID 82297673

IUPAC2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline
SMILESNCc1c(F)cccc1Nc1ccccc1Cl
InChIInChI=1S/C13H12ClFN2/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16/h1-7,17H,8,16H2
InChIKeySUWOCJLIMUJLJL-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.68
Rot. Bonds3

About 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline

2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline (PubChem CID 82297673) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline
PubChem CID82297673
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline
SMILESNCc1c(F)cccc1Nc1ccccc1Cl
InChIInChI=1S/C13H12ClFN2/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16/h1-7,17H,8,16H2
InChIKeySUWOCJLIMUJLJL-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-N-(3-chloro-2-methylphenyl)-3-fluoroaniline
CID 95483003
2-(aminomethyl)-3-fluoro-N-(2-propan-2-ylphenyl)aniline
CID 82300597
4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
CID 82297676
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
N-(2-chlorophenyl)-2,5-difluoroaniline
CID 82536991
2-chloro-6-fluoro-N-phenylaniline
CID 18546408
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
methyl 3-[2-(aminomethyl)-3-fluoroanilino]benzoate
CID 95476603
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline?
The IUPAC name of 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline (CID 82297673) is 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline?
The canonical SMILES for 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline is NCc1c(F)cccc1Nc1ccccc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline?
The InChIKey is SUWOCJLIMUJLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-10-4-1-2-6-13(10)17-12-7-3-5-11(15)9(12)8-16/h1-7,17H,8,16H2.
What are the key properties of 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline?
2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline has a molecular weight of 250.70 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline is sourced from PubChem (CID 82297673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).