5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol

C11H14ClNO2 — CID 84791834

IUPAC5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
SMILESCOc1cc(C2(CN)CC2)cc(O)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-15-9-5-7(4-8(14)10(9)12)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyGTMXWLWLWOAHKZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.04
Rot. Bonds3

About 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol

5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol (PubChem CID 84791834) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
PubChem CID84791834
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol
SMILESCOc1cc(C2(CN)CC2)cc(O)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-15-9-5-7(4-8(14)10(9)12)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyGTMXWLWLWOAHKZ-UHFFFAOYSA-N
XLogP2.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894
2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
CID 117392546
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117320148
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
[1-(3-chloro-4-methoxy-5-methylphenyl)cyclopropyl]methanamine
CID 84790715
2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117286781
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol?
The IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol (CID 84791834) is 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol.
What is the SMILES notation for 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol?
The canonical SMILES for 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol is COc1cc(C2(CN)CC2)cc(O)c1Cl.
What is the InChIKey of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol?
The InChIKey is GTMXWLWLWOAHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-15-9-5-7(4-8(14)10(9)12)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol?
5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol has a molecular weight of 227.69 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxyphenol is sourced from PubChem (CID 84791834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).