2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol

C12H16FNO — CID 105463029

IUPAC2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(CCC2(N)CC2)c1O
InChIInChI=1S/C12H16FNO/c1-8-6-10(13)7-9(11(8)15)2-3-12(14)4-5-12/h6-7,15H,2-5,14H2,1H3
InChIKeyVBLODOWDLMISCC-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol

2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol (PubChem CID 105463029) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
PubChem CID105463029
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(CCC2(N)CC2)c1O
InChIInChI=1S/C12H16FNO/c1-8-6-10(13)7-9(11(8)15)2-3-12(14)4-5-12/h6-7,15H,2-5,14H2,1H3
InChIKeyVBLODOWDLMISCC-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

4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
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
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389
6-[2-(1-aminocyclopropyl)ethyl]-2,3-dihydro-1H-inden-5-ol
CID 105471605

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol?
The IUPAC name of 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol (CID 105463029) is 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol?
The canonical SMILES for 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol is Cc1cc(F)cc(CCC2(N)CC2)c1O.
What is the InChIKey of 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol?
The InChIKey is VBLODOWDLMISCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-6-10(13)7-9(11(8)15)2-3-12(14)4-5-12/h6-7,15H,2-5,14H2,1H3.
What are the key properties of 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol?
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-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 2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol is sourced from PubChem (CID 105463029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).