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

C14H13Br2FN2 — CID 81437083

IUPAC1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13Br2FN2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H,8,18H2
InChIKeyPHOBTEKYBHXYEA-UHFFFAOYSA-N
MW388.08 g/mol
LogP4.46
Rot. Bonds4

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

1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine (PubChem CID 81437083) has the molecular formula C14H13Br2FN2 and a molecular weight of 388.08 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
PubChem CID81437083
Molecular FormulaC14H13Br2FN2
Molecular Weight388.08 g/mol
Exact Mass385.94
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Br)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13Br2FN2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H,8,18H2
InChIKeyPHOBTEKYBHXYEA-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.08
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
1-(4-bromo-3-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 66481166
1-(3-bromo-4-methylphenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 105405065
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
2-(4-bromo-3-fluorophenyl)-2-(4-methylanilino)ethanol
CID 81440633
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine (CID 81437083) is 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine is NCC(Nc1ccc(Br)cc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
The InChIKey is PHOBTEKYBHXYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2FN2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H,8,18H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine?
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine has a molecular weight of 388.08 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 81437083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).