3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol

C13H17ClFNO2 — CID 117437080

IUPAC3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1C1(N)CCCCC1
InChIInChI=1S/C13H17ClFNO2/c1-18-12-9(17)7-8(14)11(15)10(12)13(16)5-3-2-4-6-13/h7,17H,2-6,16H2,1H3
InChIKeyXZUVAJNMTLHSPH-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.31
Rot. Bonds2

About 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol

3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol (PubChem CID 117437080) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
PubChem CID117437080
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1C1(N)CCCCC1
InChIInChI=1S/C13H17ClFNO2/c1-18-12-9(17)7-8(14)11(15)10(12)13(16)5-3-2-4-6-13/h7,17H,2-6,16H2,1H3
InChIKeyXZUVAJNMTLHSPH-UHFFFAOYSA-N
XLogP3.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-(3-chloro-2,5-difluoro-6-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117469702
1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 84802273
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol?
The IUPAC name of 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol (CID 117437080) is 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol is COc1c(O)cc(Cl)c(F)c1C1(N)CCCCC1.
What is the InChIKey of 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol?
The InChIKey is XZUVAJNMTLHSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-18-12-9(17)7-8(14)11(15)10(12)13(16)5-3-2-4-6-13/h7,17H,2-6,16H2,1H3.
What are the key properties of 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol?
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol has a molecular weight of 273.73 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol is sourced from PubChem (CID 117437080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).