4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol

C12H15BrFNO — CID 84814370

IUPAC4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
SMILESNC1(c2cc(Br)c(O)cc2F)CCCCC1
InChIInChI=1S/C12H15BrFNO/c13-9-6-8(10(14)7-11(9)16)12(15)4-2-1-3-5-12/h6-7,16H,1-5,15H2
InChIKeyRZJVBIGADYQFQV-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.41
Rot. Bonds1

About 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol

4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol (PubChem CID 84814370) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol.

Molecular Properties

Compound Name4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
PubChem CID84814370
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol
SMILESNC1(c2cc(Br)c(O)cc2F)CCCCC1
InChIInChI=1S/C12H15BrFNO/c13-9-6-8(10(14)7-11(9)16)12(15)4-2-1-3-5-12/h6-7,16H,1-5,15H2
InChIKeyRZJVBIGADYQFQV-UHFFFAOYSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
4-(1-aminocyclopropyl)-2,5-difluorophenol
CID 117280020
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexan-1-amine
CID 117371666
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
CID 117471497
1-(2-bromo-5-fluorophenyl)cyclohexan-1-amine
CID 117432906
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
5-(1-aminocyclopentyl)-2-fluoro-4-methylphenol
CID 84780716

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol?
The IUPAC name of 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol (CID 84814370) is 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol.
What is the SMILES notation for 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol?
The canonical SMILES for 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol is NC1(c2cc(Br)c(O)cc2F)CCCCC1.
What is the InChIKey of 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol?
The InChIKey is RZJVBIGADYQFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-9-6-8(10(14)7-11(9)16)12(15)4-2-1-3-5-12/h6-7,16H,1-5,15H2.
What are the key properties of 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol?
4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol has a molecular weight of 288.16 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexyl)-2-bromo-5-fluorophenol is sourced from PubChem (CID 84814370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).