4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol

C16H25NO — CID 117113435

IUPAC4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
SMILESCc1cc(C2(CN)CCCCC2)c(C)c(C)c1O
InChIInChI=1S/C16H25NO/c1-11-9-14(12(2)13(3)15(11)18)16(10-17)7-5-4-6-8-16/h9,18H,4-8,10,17H2,1-3H3
InChIKeyQLVHHZVDQRVTCA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.48
Rot. Bonds2

About 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol

4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol (PubChem CID 117113435) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
PubChem CID117113435
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
SMILESCc1cc(C2(CN)CCCCC2)c(C)c(C)c1O
InChIInChI=1S/C16H25NO/c1-11-9-14(12(2)13(3)15(11)18)16(10-17)7-5-4-6-8-16/h9,18H,4-8,10,17H2,1-3H3
InChIKeyQLVHHZVDQRVTCA-UHFFFAOYSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
methyl 3-[1-(aminomethyl)cyclohexyl]-4,5-dimethylbenzoate
CID 117440938
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
CID 84812408
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
2-[1-(aminomethyl)cyclohexyl]-6-bromo-3,5-dimethylphenol
CID 117497403

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol (CID 117113435) is 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol is Cc1cc(C2(CN)CCCCC2)c(C)c(C)c1O.
What is the InChIKey of 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol?
The InChIKey is QLVHHZVDQRVTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-9-14(12(2)13(3)15(11)18)16(10-17)7-5-4-6-8-16/h9,18H,4-8,10,17H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol?
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol has a molecular weight of 247.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol is sourced from PubChem (CID 117113435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).