6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol

C14H21NO2 — CID 117342791

IUPAC6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
SMILESCOc1ccc(C2(CN)CCCC2)c(O)c1C
InChIInChI=1S/C14H21NO2/c1-10-12(17-2)6-5-11(13(10)16)14(9-15)7-3-4-8-14/h5-6,16H,3-4,7-9,15H2,1-2H3
InChIKeySWHUXAQPBFKNBA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.48
Rot. Bonds3

About 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol

6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol (PubChem CID 117342791) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
PubChem CID117342791
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
SMILESCOc1ccc(C2(CN)CCCC2)c(O)c1C
InChIInChI=1S/C14H21NO2/c1-10-12(17-2)6-5-11(13(10)16)14(9-15)7-3-4-8-14/h5-6,16H,3-4,7-9,15H2,1-2H3
InChIKeySWHUXAQPBFKNBA-UHFFFAOYSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
4-[1-(aminomethyl)cyclobutyl]-6-methoxy-2,3-dimethylphenol
CID 117343193
[1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclobutyl]methanamine
CID 117365897
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
2-[1-(aminomethyl)cyclobutyl]-6-methoxy-3-methylphenol
CID 117316580
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
[1-(7-methoxy-2-methyl-1-benzofuran-4-yl)cyclopentyl]methanamine
CID 117402303
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-[3,4-dimethoxy-2-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117448334
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol?
The IUPAC name of 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol (CID 117342791) is 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol?
The canonical SMILES for 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol is COc1ccc(C2(CN)CCCC2)c(O)c1C.
What is the InChIKey of 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol?
The InChIKey is SWHUXAQPBFKNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-12(17-2)6-5-11(13(10)16)14(9-15)7-3-4-8-14/h5-6,16H,3-4,7-9,15H2,1-2H3.
What are the key properties of 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol?
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol has a molecular weight of 235.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol is sourced from PubChem (CID 117342791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).