2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol

C10H12FNO — CID 117278700

IUPAC2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
SMILESCc1ccc(F)c(O)c1/C=C/CN
InChIInChI=1S/C10H12FNO/c1-7-4-5-9(11)10(13)8(7)3-2-6-12/h2-5,13H,6,12H2,1H3/b3-2+
InChIKeyAPFDAXAKYOAGKM-NSCUHMNNSA-N
MW181.21 g/mol
LogP1.81
Rot. Bonds2

About 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol

2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol (PubChem CID 117278700) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
PubChem CID117278700
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol
SMILESCc1ccc(F)c(O)c1/C=C/CN
InChIInChI=1S/C10H12FNO/c1-7-4-5-9(11)10(13)8(7)3-2-6-12/h2-5,13H,6,12H2,1H3/b3-2+
InChIKeyAPFDAXAKYOAGKM-NSCUHMNNSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminoprop-1-enyl)-6-fluoro-3-methylbenzaldehyde
CID 169463814
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
CID 117283641
2-[(E)-3-aminoprop-1-enyl]-6-methyl-3-methylsulfanylphenol
CID 117299504
2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol
CID 117307304
3-(2,6-dimethylphenyl)prop-2-en-1-amine
CID 169463179
2-(3-aminoprop-1-enyl)-3-fluorophenol
CID 169463203
2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
CID 117306260
6-[(E)-3-aminoprop-1-enyl]-2,3-dimethylphenol
CID 117277547
2-[(E)-3-aminoprop-1-enyl]-6-bromo-3,4-difluorophenol
CID 117414280
2-(3-aminoprop-1-enyl)-3-methylnaphthalene-1,4-diol
CID 90809969
(E)-3-(6-bromo-2,3-dimethylphenyl)prop-2-en-1-amine
CID 117352404
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol?
The IUPAC name of 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol (CID 117278700) is 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol.
What is the SMILES notation for 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol?
The canonical SMILES for 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol is Cc1ccc(F)c(O)c1/C=C/CN.
What is the InChIKey of 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol?
The InChIKey is APFDAXAKYOAGKM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-4-5-9(11)10(13)8(7)3-2-6-12/h2-5,13H,6,12H2,1H3/b3-2+.
What are the key properties of 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol?
2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol has a molecular weight of 181.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-aminoprop-1-enyl]-6-fluoro-3-methylphenol is sourced from PubChem (CID 117278700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).