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

C15H23NO — CID 117113307

IUPAC4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
SMILESCc1cc(C2(CN)CCCC2)c(C)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-8-13(11(2)12(3)14(10)17)15(9-16)6-4-5-7-15/h8,17H,4-7,9,16H2,1-3H3
InChIKeyXWOUESHVVAMWCJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.09
Rot. Bonds2

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

4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol (PubChem CID 117113307) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
PubChem CID117113307
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
SMILESCc1cc(C2(CN)CCCC2)c(C)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-8-13(11(2)12(3)14(10)17)15(9-16)6-4-5-7-15/h8,17H,4-7,9,16H2,1-3H3
InChIKeyXWOUESHVVAMWCJ-UHFFFAOYSA-N
XLogP3.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
[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-methylphenol
CID 82615959
methyl 3-[1-(aminomethyl)cyclohexyl]-4,5-dimethylbenzoate
CID 117440938
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol (CID 117113307) is 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol is Cc1cc(C2(CN)CCCC2)c(C)c(C)c1O.
What is the InChIKey of 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol?
The InChIKey is XWOUESHVVAMWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-8-13(11(2)12(3)14(10)17)15(9-16)6-4-5-7-15/h8,17H,4-7,9,16H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol?
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol is sourced from PubChem (CID 117113307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).