6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol

C15H23NO3 — CID 117417803

IUPAC6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
SMILESCOc1ccc(C2(CN)CCCCC2)c(O)c1OC
InChIInChI=1S/C15H23NO3/c1-18-12-7-6-11(13(17)14(12)19-2)15(10-16)8-4-3-5-9-15/h6-7,17H,3-5,8-10,16H2,1-2H3
InChIKeyJUBRMRAHBOBVBJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds4

About 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol

6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol (PubChem CID 117417803) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
PubChem CID117417803
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
SMILESCOc1ccc(C2(CN)CCCCC2)c(O)c1OC
InChIInChI=1S/C15H23NO3/c1-18-12-7-6-11(13(17)14(12)19-2)15(10-16)8-4-3-5-9-15/h6-7,17H,3-5,8-10,16H2,1-2H3
InChIKeyJUBRMRAHBOBVBJ-UHFFFAOYSA-N
XLogP2.57
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117488343
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol?
The IUPAC name of 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol (CID 117417803) is 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol?
The canonical SMILES for 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol is COc1ccc(C2(CN)CCCCC2)c(O)c1OC.
What is the InChIKey of 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol?
The InChIKey is JUBRMRAHBOBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-12-7-6-11(13(17)14(12)19-2)15(10-16)8-4-3-5-9-15/h6-7,17H,3-5,8-10,16H2,1-2H3.
What are the key properties of 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol?
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol has a molecular weight of 265.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol is sourced from PubChem (CID 117417803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).