3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol

C15H22FNO3 — CID 117455550

IUPAC3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(F)c(C2(CN)CCCCC2)c1OC
InChIInChI=1S/C15H22FNO3/c1-19-11-8-10(18)13(16)12(14(11)20-2)15(9-17)6-4-3-5-7-15/h8,18H,3-7,9,17H2,1-2H3
InChIKeyAHEXRJGAJPHCGX-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.71
Rot. Bonds4

About 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol

3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol (PubChem CID 117455550) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
PubChem CID117455550
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
SMILESCOc1cc(O)c(F)c(C2(CN)CCCCC2)c1OC
InChIInChI=1S/C15H22FNO3/c1-19-11-8-10(18)13(16)12(14(11)20-2)15(9-17)6-4-3-5-7-15/h8,18H,3-7,9,17H2,1-2H3
InChIKeyAHEXRJGAJPHCGX-UHFFFAOYSA-N
XLogP2.71
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,6-difluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459547
[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
2-[1-(aminomethyl)cyclopentyl]-4-chloro-3-fluoro-6-methoxyphenol
CID 117437146
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
2-[1-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-6-methoxyphenol
CID 117464477
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol (CID 117455550) is 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol is COc1cc(O)c(F)c(C2(CN)CCCCC2)c1OC.
What is the InChIKey of 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol?
The InChIKey is AHEXRJGAJPHCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-19-11-8-10(18)13(16)12(14(11)20-2)15(9-17)6-4-3-5-7-15/h8,18H,3-7,9,17H2,1-2H3.
What are the key properties of 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol?
3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol has a molecular weight of 283.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol is sourced from PubChem (CID 117455550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).