4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol

C11H14FNO — CID 117285302

IUPAC4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
SMILESCc1cc(C2(CN)CC2)c(F)cc1O
InChIInChI=1S/C11H14FNO/c1-7-4-8(9(12)5-10(7)14)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyFQYSOVBLNAZEBM-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.83
Rot. Bonds2

About 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol

4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol (PubChem CID 117285302) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
PubChem CID117285302
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
SMILESCc1cc(C2(CN)CC2)c(F)cc1O
InChIInChI=1S/C11H14FNO/c1-7-4-8(9(12)5-10(7)14)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3
InChIKeyFQYSOVBLNAZEBM-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
CID 84772874
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]methanamine
CID 117293731
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
CID 117339002
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol?
The IUPAC name of 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol (CID 117285302) is 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol.
What is the SMILES notation for 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol?
The canonical SMILES for 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol is Cc1cc(C2(CN)CC2)c(F)cc1O.
What is the InChIKey of 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol?
The InChIKey is FQYSOVBLNAZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-4-8(9(12)5-10(7)14)11(6-13)2-3-11/h4-5,14H,2-3,6,13H2,1H3.
What are the key properties of 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol?
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol has a molecular weight of 195.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol is sourced from PubChem (CID 117285302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).