6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol

C11H14FNO — CID 117285305

IUPAC6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
SMILESCc1ccc(C2(CN)CC2)c(O)c1F
InChIInChI=1S/C11H14FNO/c1-7-2-3-8(10(14)9(7)12)11(6-13)4-5-11/h2-3,14H,4-6,13H2,1H3
InChIKeyBPPZNNRBYJRXEM-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.83
Rot. Bonds2

About 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol

6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol (PubChem CID 117285305) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
PubChem CID117285305
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
SMILESCc1ccc(C2(CN)CC2)c(O)c1F
InChIInChI=1S/C11H14FNO/c1-7-2-3-8(10(14)9(7)12)11(6-13)4-5-11/h2-3,14H,4-6,13H2,1H3
InChIKeyBPPZNNRBYJRXEM-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

3-[1-(aminomethyl)cyclopropyl]-6-methylbenzene-1,2-diol
CID 117283669
4-[1-(aminomethyl)cyclobutyl]-2-fluorobenzene-1,3-diol
CID 117301474
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
4-[1-(aminomethyl)cyclopropyl]-3-methylphenol
CID 83695876
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117461259
3-[1-(aminomethyl)cyclobutyl]-2-chloro-6-methylphenol
CID 117324591
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol?
The IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol (CID 117285305) is 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol?
The canonical SMILES for 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol is Cc1ccc(C2(CN)CC2)c(O)c1F.
What is the InChIKey of 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol?
The InChIKey is BPPZNNRBYJRXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-2-3-8(10(14)9(7)12)11(6-13)4-5-11/h2-3,14H,4-6,13H2,1H3.
What are the key properties of 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol?
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-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 6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol is sourced from PubChem (CID 117285305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).