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

C13H12ClFN2 — CID 82297676

IUPAC4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
SMILESNCc1ccc(Nc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H12ClFN2/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,17H,8,16H2
InChIKeyDCBYDYWDANYORR-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.68
Rot. Bonds3

About 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline

4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline (PubChem CID 82297676) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
PubChem CID82297676
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
SMILESNCc1ccc(Nc2ccccc2Cl)c(F)c1
InChIInChI=1S/C13H12ClFN2/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,17H,8,16H2
InChIKeyDCBYDYWDANYORR-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

1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
4-(aminomethyl)-N-(4-chloro-2-methylphenyl)-2-fluoroaniline
CID 82303954
2-(aminomethyl)-N-(2-chlorophenyl)-3-fluoroaniline
CID 82297673
4-(2-chloroanilino)-3-fluorobenzenecarbothioamide
CID 43657796
4-(2-aminoethyl)-2-fluoro-N-phenylaniline
CID 82288843
N-[4-(aminomethyl)-2-fluorophenyl]-2,5-dimethylaniline
CID 82294319
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
4-(2-aminoethyl)-N-(4-chlorophenyl)-2-fluoroaniline
CID 82303958
4-(aminomethyl)-2-fluoro-N-(4-methoxyphenyl)aniline
CID 82295213
N-(2-chlorophenyl)-2,5-difluoroaniline
CID 82536991
3-[4-(aminomethyl)-2-fluoroanilino]benzonitrile
CID 82292940
1-N-[[3-(aminomethyl)phenyl]methyl]-2-N-(2-fluorophenyl)benzene-1,2-diamine
CID 143693932

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline?
The IUPAC name of 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline (CID 82297676) is 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline is NCc1ccc(Nc2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline?
The InChIKey is DCBYDYWDANYORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-10-3-1-2-4-12(10)17-13-6-5-9(8-16)7-11(13)15/h1-7,17H,8,16H2.
What are the key properties of 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline?
4-(aminomethyl)-N-(2-chlorophenyl)-2-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 4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline is sourced from PubChem (CID 82297676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).