3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine

C14H14ClFN2 — CID 104834416

IUPAC3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccccc1F)c1cccc(Cl)c1N
InChIInChI=1S/C14H14ClFN2/c1-2-18(12-8-4-3-7-11(12)16)13-9-5-6-10(15)14(13)17/h3-9H,2,17H2,1H3
InChIKeyPIULGJDRPDBEJJ-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.22
Rot. Bonds3

About 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine

3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine (PubChem CID 104834416) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
PubChem CID104834416
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccccc1F)c1cccc(Cl)c1N
InChIInChI=1S/C14H14ClFN2/c1-2-18(12-8-4-3-7-11(12)16)13-9-5-6-10(15)14(13)17/h3-9H,2,17H2,1H3
InChIKeyPIULGJDRPDBEJJ-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
CID 104833908
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493
3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 104834417
2-chloro-6-(N-ethyl-2-fluoroanilino)benzenecarboximidamide
CID 62497836
3-chloro-1-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,2-diamine
CID 104834154
6-chloro-4-N-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,5-diamine
CID 63023431
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
2-chloro-4-(chloromethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 81151857
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
CID 103590266
3-chloro-4-(N-ethyl-2-fluoroanilino)benzonitrile
CID 63509825
3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine (CID 104834416) is 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine is CCN(c1ccccc1F)c1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine?
The InChIKey is PIULGJDRPDBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-2-18(12-8-4-3-7-11(12)16)13-9-5-6-10(15)14(13)17/h3-9H,2,17H2,1H3.
What are the key properties of 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine?
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine has a molecular weight of 264.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 104834416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).