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

C12H16BrFN2 — CID 79459495

IUPAC1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(Br)cc2F)C1
InChIInChI=1S/C12H16BrFN2/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2
InChIKeyHBGFOSZERJZGHN-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.27
Rot. Bonds2

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

1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine (PubChem CID 79459495) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
PubChem CID79459495
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(Nc2ccc(Br)cc2F)C1
InChIInChI=1S/C12H16BrFN2/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2
InChIKeyHBGFOSZERJZGHN-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
CID 79458952
1-N-(4-bromo-2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458131
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
1-N-(4-bromo-2-nitrophenyl)cyclohexane-1,3-diamine
CID 79458199
1-N-(2-chloro-4-fluorophenyl)cyclohexane-1,3-diamine
CID 79459216
N-(4-bromo-2-fluorophenyl)azepan-4-amine
CID 103980423
1-N-(2,4-dichlorophenyl)cyclohexane-1,3-diamine
CID 79458145
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
1-N-(3-fluoro-2-methylphenyl)cyclohexane-1,3-diamine
CID 79458310
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458634

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine (CID 79459495) is 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine is NC1CCCC(Nc2ccc(Br)cc2F)C1.
What is the InChIKey of 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine?
The InChIKey is HBGFOSZERJZGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-8-4-5-12(11(14)6-8)16-10-3-1-2-9(15)7-10/h4-6,9-10,16H,1-3,7,15H2.
What are the key properties of 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine?
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine has a molecular weight of 287.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79459495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).