1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

C15H16BrFN2O — CID 81437578

IUPAC1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H16BrFN2O/c1-20-12-4-2-3-11(8-12)19-15(9-18)10-5-6-13(16)14(17)7-10/h2-8,15,19H,9,18H2,1H3
InChIKeyFJILZBXGGUZZDM-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine

1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (PubChem CID 81437578) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
PubChem CID81437578
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1cccc(NC(CN)c2ccc(Br)c(F)c2)c1
InChIInChI=1S/C15H16BrFN2O/c1-20-12-4-2-3-11(8-12)19-15(9-18)10-5-6-13(16)14(17)7-10/h2-8,15,19H,9,18H2,1H3
InChIKeyFJILZBXGGUZZDM-UHFFFAOYSA-N
XLogP3.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 81437083
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
CID 107693461
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
1-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-fluorobenzene
CID 55224466
N-(3-methoxyphenyl)-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 65379203
1-(2,3-dimethylphenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65378155

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine (CID 81437578) is 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is COc1cccc(NC(CN)c2ccc(Br)c(F)c2)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is FJILZBXGGUZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-20-12-4-2-3-11(8-12)19-15(9-18)10-5-6-13(16)14(17)7-10/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine?
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 339.21 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 81437578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).