2-[1-(aminomethyl)cyclobutyl]-5-methylphenol

C12H17NO — CID 82604285

IUPAC2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
SMILESCc1ccc(C2(CN)CCC2)c(O)c1
InChIInChI=1S/C12H17NO/c1-9-3-4-10(11(14)7-9)12(8-13)5-2-6-12/h3-4,7,14H,2,5-6,8,13H2,1H3
InChIKeyRELMOIWRNNDOQJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.08
Rot. Bonds2

About 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol

2-[1-(aminomethyl)cyclobutyl]-5-methylphenol (PubChem CID 82604285) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
PubChem CID82604285
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
SMILESCc1ccc(C2(CN)CCC2)c(O)c1
InChIInChI=1S/C12H17NO/c1-9-3-4-10(11(14)7-9)12(8-13)5-2-6-12/h3-4,7,14H,2,5-6,8,13H2,1H3
InChIKeyRELMOIWRNNDOQJ-UHFFFAOYSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
[1-(2-bromo-5-methylphenyl)cyclohexyl]methanamine
CID 117453314
[1-(7-methylnaphthalen-1-yl)cyclobutyl]methanamine
CID 105483290
2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
CID 117301474
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol (CID 82604285) is 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol is Cc1ccc(C2(CN)CCC2)c(O)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol?
The InChIKey is RELMOIWRNNDOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-4-10(11(14)7-9)12(8-13)5-2-6-12/h3-4,7,14H,2,5-6,8,13H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol?
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol has a molecular weight of 191.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-5-methylphenol is sourced from PubChem (CID 82604285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).