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

C14H13BrClFN2 — CID 83230125

IUPAC1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClFN2/c15-10-7-9(5-6-11(10)16)14(8-18)19-13-4-2-1-3-12(13)17/h1-7,14,19H,8,18H2
InChIKeyKRXZXXUSUSSUOO-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.35
Rot. Bonds4

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

1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 83230125) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID83230125
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccccc1F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H13BrClFN2/c15-10-7-9(5-6-11(10)16)14(8-18)19-13-4-2-1-3-12(13)17/h1-7,14,19H,8,18H2
InChIKeyKRXZXXUSUSSUOO-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419
1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527797
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
1-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377943
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
1-(4-bromophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378132
1-(2,3-dichlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65378776
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
[(3-bromo-4-chlorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105260937
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
1-(4-fluoro-3-methylphenyl)-N-(2-methylphenyl)ethane-1,2-diamine
CID 65376751

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine (CID 83230125) is 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine is NCC(Nc1ccccc1F)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is KRXZXXUSUSSUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c15-10-7-9(5-6-11(10)16)14(8-18)19-13-4-2-1-3-12(13)17/h1-7,14,19H,8,18H2.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine?
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 343.63 g/mol, XLogP of 4.35, 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-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 83230125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).