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

C14H13BrF2N2 — CID 65383822

IUPAC1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrF2N2/c15-9-4-5-12(13(17)6-9)14(8-18)19-11-3-1-2-10(16)7-11/h1-7,14,19H,8,18H2
InChIKeyZXMXMTLGVIGEFG-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.84
Rot. Bonds4

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

1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine (PubChem CID 65383822) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
PubChem CID65383822
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cccc(F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrF2N2/c15-9-4-5-12(13(17)6-9)14(8-18)19-11-3-1-2-10(16)7-11/h1-7,14,19H,8,18H2
InChIKeyZXMXMTLGVIGEFG-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
1-(4-bromo-5-chlorothiophen-2-yl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 102839520
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377278
N-[1-(4-bromo-2-fluorophenyl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63526365
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine (CID 65383822) is 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine is NCC(Nc1cccc(F)c1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
The InChIKey is ZXMXMTLGVIGEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c15-9-4-5-12(13(17)6-9)14(8-18)19-11-3-1-2-10(16)7-11/h1-7,14,19H,8,18H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine has a molecular weight of 327.17 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).