3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol

C12H16ClNO — CID 117324591

IUPAC3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
SMILESCc1ccc(C2(CN)CCC2)c(Cl)c1O
InChIInChI=1S/C12H16ClNO/c1-8-3-4-9(10(13)11(8)15)12(7-14)5-2-6-12/h3-4,15H,2,5-7,14H2,1H3
InChIKeyKVPNZPFOOOQCSW-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.73
Rot. Bonds2

About 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol

3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol (PubChem CID 117324591) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
PubChem CID117324591
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
SMILESCc1ccc(C2(CN)CCC2)c(Cl)c1O
InChIInChI=1S/C12H16ClNO/c1-8-3-4-9(10(13)11(8)15)12(7-14)5-2-6-12/h3-4,15H,2,5-7,14H2,1H3
InChIKeyKVPNZPFOOOQCSW-UHFFFAOYSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
4-[1-(aminomethyl)cyclopentyl]-2-chloro-6-methylphenol
CID 84800194
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol (CID 117324591) is 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol is Cc1ccc(C2(CN)CCC2)c(Cl)c1O.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol?
The InChIKey is KVPNZPFOOOQCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-3-4-9(10(13)11(8)15)12(7-14)5-2-6-12/h3-4,15H,2,5-7,14H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol?
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol has a molecular weight of 225.72 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol is sourced from PubChem (CID 117324591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).