5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol

C12H16FNO — CID 105463041

IUPAC5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol
SMILESCc1c(O)cc(CCC2(N)CC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-10(13)6-9(7-11(8)15)2-3-12(14)4-5-12/h6-7,15H,2-5,14H2,1H3
InChIKeyBVPHFPNATWKURI-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.26
Rot. Bonds3

About 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol

5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol (PubChem CID 105463041) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol.

Molecular Properties

Compound Name5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol
PubChem CID105463041
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol
SMILESCc1c(O)cc(CCC2(N)CC2)cc1F
InChIInChI=1S/C12H16FNO/c1-8-10(13)6-9(7-11(8)15)2-3-12(14)4-5-12/h6-7,15H,2-5,14H2,1H3
InChIKeyBVPHFPNATWKURI-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol
CID 105466615
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
3-fluoro-2-methyl-5-(methylaminomethyl)phenol
CID 84765552
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
2-[2-(1-aminocyclopropyl)ethyl]-5-fluorophenol
CID 105448984
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol?
The IUPAC name of 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol (CID 105463041) is 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol.
What is the SMILES notation for 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol?
The canonical SMILES for 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol is Cc1c(O)cc(CCC2(N)CC2)cc1F.
What is the InChIKey of 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol?
The InChIKey is BVPHFPNATWKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-10(13)6-9(7-11(8)15)2-3-12(14)4-5-12/h6-7,15H,2-5,14H2,1H3.
What are the key properties of 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol?
5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol has a molecular weight of 209.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol is sourced from PubChem (CID 105463041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).