3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol

C11H15NO2 — CID 117283669

IUPAC3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
SMILESCc1ccc(C2(CN)CC2)c(O)c1O
InChIInChI=1S/C11H15NO2/c1-7-2-3-8(10(14)9(7)13)11(6-12)4-5-11/h2-3,13-14H,4-6,12H2,1H3
InChIKeyIXZLVEMDSVWNNG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.40
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol

3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol (PubChem CID 117283669) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
PubChem CID117283669
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
SMILESCc1ccc(C2(CN)CC2)c(O)c1O
InChIInChI=1S/C11H15NO2/c1-7-2-3-8(10(14)9(7)13)11(6-12)4-5-11/h2-3,13-14H,4-6,12H2,1H3
InChIKeyIXZLVEMDSVWNNG-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
2-[1-(aminomethyl)cyclohexyl]-3-bromo-6-methylphenol
CID 117480430
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol?
The IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol (CID 117283669) is 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol?
The canonical SMILES for 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol is Cc1ccc(C2(CN)CC2)c(O)c1O.
What is the InChIKey of 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol?
The InChIKey is IXZLVEMDSVWNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-2-3-8(10(14)9(7)13)11(6-12)4-5-11/h2-3,13-14H,4-6,12H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol?
3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol has a molecular weight of 193.25 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol is sourced from PubChem (CID 117283669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).