3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol

C13H18FNO — CID 117320311

IUPAC3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(C2(CN)CCCC2)c1F
InChIInChI=1S/C13H18FNO/c1-9-6-10(16)7-11(12(9)14)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyGKRIZXYYDJMWKL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol

3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol (PubChem CID 117320311) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
PubChem CID117320311
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(C2(CN)CCCC2)c1F
InChIInChI=1S/C13H18FNO/c1-9-6-10(16)7-11(12(9)14)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3
InChIKeyGKRIZXYYDJMWKL-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
2-[1-(aminomethyl)cyclobutyl]-6-(trifluoromethyl)benzene-1,4-diol
CID 117406723
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol (CID 117320311) is 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol is Cc1cc(O)cc(C2(CN)CCCC2)c1F.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol?
The InChIKey is GKRIZXYYDJMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-10(16)7-11(12(9)14)13(8-15)4-2-3-5-13/h6-7,16H,2-5,8,15H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol?
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol has a molecular weight of 223.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol is sourced from PubChem (CID 117320311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).