3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine

C14H14ClFN2 — CID 104834417

IUPAC3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(F)cc1)c1cccc(Cl)c1N
InChIInChI=1S/C14H14ClFN2/c1-2-18(11-8-6-10(16)7-9-11)13-5-3-4-12(15)14(13)17/h3-9H,2,17H2,1H3
InChIKeyMQWGKZXDXCTTCG-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.22
Rot. Bonds3

About 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine

3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine (PubChem CID 104834417) 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-(4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
PubChem CID104834417
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(F)cc1)c1cccc(Cl)c1N
InChIInChI=1S/C14H14ClFN2/c1-2-18(11-8-6-10(16)7-9-11)13-5-3-4-12(15)14(13)17/h3-9H,2,17H2,1H3
InChIKeyMQWGKZXDXCTTCG-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-phenylbenzene-1,2-diamine
CID 113458493
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
2-amino-3-(N-ethyl-4-fluoroanilino)benzenesulfonamide
CID 115992626
3-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,2-diamine
CID 104833908
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935511
2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
CID 79513025
(1S)-1-[2-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 78940914
1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
2-bromo-6-(N-ethyl-4-fluoroanilino)benzoic acid
CID 114888107
4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 66110346
3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline
CID 28946393

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine (CID 104834417) is 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine is CCN(c1ccc(F)cc1)c1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is MQWGKZXDXCTTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-2-18(11-8-6-10(16)7-9-11)13-5-3-4-12(15)14(13)17/h3-9H,2,17H2,1H3.
What are the key properties of 3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine?
3-chloro-1-N-ethyl-1-N-(4-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-(4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 104834417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).