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

C14H14BrFN2 — CID 55068059

IUPAC2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine
SMILESCC(Nc1cc(F)ccc1N)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrFN2/c1-9(10-2-4-11(15)5-3-10)18-14-8-12(16)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyMEENBVXKJGHODB-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.34
Rot. Bonds3

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

2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine (PubChem CID 55068059) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine
PubChem CID55068059
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine
SMILESCC(Nc1cc(F)ccc1N)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrFN2/c1-9(10-2-4-11(15)5-3-10)18-14-8-12(16)6-7-13(14)17/h2-9,18H,17H2,1H3
InChIKeyMEENBVXKJGHODB-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.34
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

N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
4-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217155
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
4-bromo-5-fluoro-2-N-[(1R)-1-phenylethyl]benzene-1,2-diamine
CID 89287608
2,5-difluoro-N-(1-phenylethyl)aniline
CID 43178058
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
N-[1-(4-tert-butylphenyl)ethyl]-2,5-difluoroaniline
CID 43106797

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine (CID 55068059) is 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine is CC(Nc1cc(F)ccc1N)c1ccc(Br)cc1.
What is the InChIKey of 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
The InChIKey is MEENBVXKJGHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-9(10-2-4-11(15)5-3-10)18-14-8-12(16)6-7-13(14)17/h2-9,18H,17H2,1H3.
What are the key properties of 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine?
2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine has a molecular weight of 309.18 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-bromophenyl)ethyl]-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 55068059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).