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

C14H13Br2FN2 — CID 65383419

IUPAC1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H13Br2FN2/c15-10-3-1-2-4-13(10)19-14(8-18)9-5-6-12(17)11(16)7-9/h1-7,14,19H,8,18H2
InChIKeyVSWJZKDDEBOQDJ-UHFFFAOYSA-N
MW388.08 g/mol
LogP4.46
Rot. Bonds4

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

1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine (PubChem CID 65383419) has the molecular formula C14H13Br2FN2 and a molecular weight of 388.08 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
PubChem CID65383419
Molecular FormulaC14H13Br2FN2
Molecular Weight388.08 g/mol
Exact Mass385.94
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H13Br2FN2/c15-10-3-1-2-4-13(10)19-14(8-18)9-5-6-12(17)11(16)7-9/h1-7,14,19H,8,18H2
InChIKeyVSWJZKDDEBOQDJ-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

N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527797
N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65383219
1-(3-bromo-4-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193601
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65384490
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
1-(3-bromo-4-fluorophenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912496

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine (CID 65383419) is 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1Br)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine?
The InChIKey is VSWJZKDDEBOQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2FN2/c15-10-3-1-2-4-13(10)19-14(8-18)9-5-6-12(17)11(16)7-9/h1-7,14,19H,8,18H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine?
1-(3-bromo-4-fluorophenyl)-N-(2-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-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).