2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine

C14H13F3N2 — CID 115124195

IUPAC2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1NCCc1ccc(F)cc1F
InChIInChI=1S/C14H13F3N2/c15-10-2-1-9(12(17)7-10)5-6-19-14-8-11(16)3-4-13(14)18/h1-4,7-8,19H,5-6,18H2
InChIKeyLUGLWOXCLBHLIE-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.34
Rot. Bonds4

About 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine

2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine (PubChem CID 115124195) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
PubChem CID115124195
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
SMILESNc1ccc(F)cc1NCCc1ccc(F)cc1F
InChIInChI=1S/C14H13F3N2/c15-10-2-1-9(12(17)7-10)5-6-19-14-8-11(16)3-4-13(14)18/h1-4,7-8,19H,5-6,18H2
InChIKeyLUGLWOXCLBHLIE-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,2-diamine
CID 115124196
N'-[2-(2,4-difluorophenyl)ethyl]methanediamine
CID 115226055
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
4-[2-(2,4-difluorophenyl)ethylamino]-3-fluorobenzonitrile
CID 133302391
4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
CID 63356572
2-N-(2-azidoethyl)-4-fluorobenzene-1,2-diamine
CID 166885958
4-(2-amino-5-fluoroanilino)butan-2-ol
CID 64927265
4-fluoro-2-N-[(5-fluoro-2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 115124144
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
N-[2-(2,4-difluorophenyl)ethyl]-2,2-dimethylbutane-1,4-diamine
CID 115204562
4-bromo-5-fluoro-1-N-[2-(4-fluorophenyl)ethyl]benzene-1,2-diamine
CID 66112244
4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine
CID 62377830

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine (CID 115124195) is 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine is Nc1ccc(F)cc1NCCc1ccc(F)cc1F.
What is the InChIKey of 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
The InChIKey is LUGLWOXCLBHLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-10-2-1-9(12(17)7-10)5-6-19-14-8-11(16)3-4-13(14)18/h1-4,7-8,19H,5-6,18H2.
What are the key properties of 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine has a molecular weight of 266.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 115124195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).