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

C12H16FNO — CID 117298840

IUPAC5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
SMILESCc1cc(F)c(C2(C(C)N)CC2)cc1O
InChIInChI=1S/C12H16FNO/c1-7-5-10(13)9(6-11(7)15)12(3-4-12)8(2)14/h5-6,8,15H,3-4,14H2,1-2H3
InChIKeyFPWLPKWGZNEOIJ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.22
Rot. Bonds2

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

5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol (PubChem CID 117298840) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol.

Molecular Properties

Compound Name5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
PubChem CID117298840
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
SMILESCc1cc(F)c(C2(C(C)N)CC2)cc1O
InChIInChI=1S/C12H16FNO/c1-7-5-10(13)9(6-11(7)15)12(3-4-12)8(2)14/h5-6,8,15H,3-4,14H2,1-2H3
InChIKeyFPWLPKWGZNEOIJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-4-methylbenzoic acid
CID 117346746
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117301565
4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol
CID 117303739
5-[1-(1-aminoethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
CID 117301518
4-[1-(1-aminoethyl)cyclopropyl]-2-fluorophenol
CID 117285258
5-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343267
1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117432884
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol?
The IUPAC name of 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol (CID 117298840) is 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol.
What is the SMILES notation for 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol?
The canonical SMILES for 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol is Cc1cc(F)c(C2(C(C)N)CC2)cc1O.
What is the InChIKey of 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol?
The InChIKey is FPWLPKWGZNEOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7-5-10(13)9(6-11(7)15)12(3-4-12)8(2)14/h5-6,8,15H,3-4,14H2,1-2H3.
What are the key properties of 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol?
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol is sourced from PubChem (CID 117298840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).