2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol

C14H21NO — CID 117313437

IUPAC2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
SMILESCCc1cccc(C2(CN)CCCC2)c1O
InChIInChI=1S/C14H21NO/c1-2-11-6-5-7-12(13(11)16)14(10-15)8-3-4-9-14/h5-7,16H,2-4,8-10,15H2,1H3
InChIKeySBRDEBWKJDBVCX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds3

About 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol

2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol (PubChem CID 117313437) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
PubChem CID117313437
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
SMILESCCc1cccc(C2(CN)CCCC2)c1O
InChIInChI=1S/C14H21NO/c1-2-11-6-5-7-12(13(11)16)14(10-15)8-3-4-9-14/h5-7,16H,2-4,8-10,15H2,1H3
InChIKeySBRDEBWKJDBVCX-UHFFFAOYSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
[1-(7-ethyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 82278267
2-[2-[1-(aminomethyl)cyclopentyl]phenyl]propan-2-ol
CID 117113245
[4-(2-ethylphenyl)oxan-4-yl]methanamine
CID 83822192
2-[1-(aminomethyl)cyclohexyl]-6-phenylmethoxyphenol
CID 117496323
2-[2-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117113373
[3-(2-ethylphenyl)oxan-3-yl]methanamine
CID 83822197
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
6-[1-(aminomethyl)cyclopentyl]-3-methoxy-2-methylphenol
CID 117342791
[1-(5-ethyl-2-methylphenyl)cyclopentyl]methanamine
CID 117310072

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol (CID 117313437) is 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol is CCc1cccc(C2(CN)CCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol?
The InChIKey is SBRDEBWKJDBVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-11-6-5-7-12(13(11)16)14(10-15)8-3-4-9-14/h5-7,16H,2-4,8-10,15H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol?
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol is sourced from PubChem (CID 117313437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).