3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol

C11H14ClNO2 — CID 117327619

IUPAC3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
SMILESCOc1c(C2(CN)CC2)ccc(Cl)c1O
InChIInChI=1S/C11H14ClNO2/c1-15-10-7(11(6-13)4-5-11)2-3-8(12)9(10)14/h2-3,14H,4-6,13H2,1H3
InChIKeyWRQAGAZOLWYOAE-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.04
Rot. Bonds3

About 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol

3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol (PubChem CID 117327619) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
PubChem CID117327619
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
SMILESCOc1c(C2(CN)CC2)ccc(Cl)c1O
InChIInChI=1S/C11H14ClNO2/c1-15-10-7(11(6-13)4-5-11)2-3-8(12)9(10)14/h2-3,14H,4-6,13H2,1H3
InChIKeyWRQAGAZOLWYOAE-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

3-(1-aminocyclobutyl)-6-chloro-2-methoxyphenol
CID 117327822
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
3-[1-(aminomethyl)cyclobutyl]-6-bromo-2-methoxyphenol
CID 117461184
4-[1-(aminomethyl)cyclopropyl]-2-chloro-3-methoxy-6-methylphenol
CID 84801297
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol (CID 117327619) is 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol is COc1c(C2(CN)CC2)ccc(Cl)c1O.
What is the InChIKey of 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol?
The InChIKey is WRQAGAZOLWYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-15-10-7(11(6-13)4-5-11)2-3-8(12)9(10)14/h2-3,14H,4-6,13H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol?
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-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 3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol is sourced from PubChem (CID 117327619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).