1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine

C15H16F2N2 — CID 103590266

IUPAC1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
SMILESCCN(c1cc(C)c(F)cc1N)c1ccccc1F
InChIInChI=1S/C15H16F2N2/c1-3-19(14-7-5-4-6-11(14)16)15-8-10(2)12(17)9-13(15)18/h4-9H,3,18H2,1-2H3
InChIKeyRPEPRDNSKWIQDC-UHFFFAOYSA-N
MW262.30 g/mol
LogP4.01
Rot. Bonds3

About 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine

1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine (PubChem CID 103590266) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
PubChem CID103590266
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine
SMILESCCN(c1cc(C)c(F)cc1N)c1ccccc1F
InChIInChI=1S/C15H16F2N2/c1-3-19(14-7-5-4-6-11(14)16)15-8-10(2)12(17)9-13(15)18/h4-9H,3,18H2,1-2H3
InChIKeyRPEPRDNSKWIQDC-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 54.01
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

2-N-ethyl-2-N-(2-fluorophenyl)-4-methylpyridine-2,5-diamine
CID 79176696
2-(aminomethyl)-N-ethyl-N-(2-fluorophenyl)aniline
CID 55125489
3-chloro-1-N-ethyl-1-N-(2-fluorophenyl)benzene-1,2-diamine
CID 104834416
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
4-(2-aminoethyl)-N-ethyl-N-(2-fluorophenyl)-3-methylaniline
CID 63786193
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689
8-N-ethyl-8-N-(2-fluorophenyl)isoquinoline-5,8-diamine
CID 103138033
4-(N-ethyl-2-fluoroanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060052
5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
CID 113367248
3-N-ethyl-3-N-(2-fluorophenyl)quinoxaline-2,3-diamine
CID 102985770
4-[(1S)-1-aminoethyl]-2-chloro-N-ethyl-N-(2-fluorophenyl)aniline
CID 78935061
2-(2-aminopropyl)-N-ethyl-4-fluoro-N-(2-fluorophenyl)aniline
CID 63816503

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine (CID 103590266) is 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine is CCN(c1cc(C)c(F)cc1N)c1ccccc1F.
What is the InChIKey of 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine?
The InChIKey is RPEPRDNSKWIQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-3-19(14-7-5-4-6-11(14)16)15-8-10(2)12(17)9-13(15)18/h4-9H,3,18H2,1-2H3.
What are the key properties of 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine?
1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine has a molecular weight of 262.30 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-fluoro-1-N-(2-fluorophenyl)-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103590266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).