5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol

C10H12FNO2 — CID 117286690

IUPAC5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
SMILESCOc1cc(F)c(O)cc1/C=C/CN
InChIInChI=1S/C10H12FNO2/c1-14-10-6-8(11)9(13)5-7(10)3-2-4-12/h2-3,5-6,13H,4,12H2,1H3/b3-2+
InChIKeyLESAMOFHCVRPIS-NSCUHMNNSA-N
MW197.21 g/mol
LogP1.51
Rot. Bonds3

About 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol

5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol (PubChem CID 117286690) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol.

Molecular Properties

Compound Name5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
PubChem CID117286690
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
SMILESCOc1cc(F)c(O)cc1/C=C/CN
InChIInChI=1S/C10H12FNO2/c1-14-10-6-8(11)9(13)5-7(10)3-2-4-12/h2-3,5-6,13H,4,12H2,1H3/b3-2+
InChIKeyLESAMOFHCVRPIS-NSCUHMNNSA-N
XLogP1.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 169464063
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
(E)-3-(2,6-difluoro-3,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117330030
(E)-3-[2-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359378
3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169464681
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929
(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333674
(E)-3-(2-chloro-4,5-dimethoxyphenyl)prop-2-en-1-amine
CID 117327748
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
(E)-3-(3-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
4-[(E)-3-aminoprop-1-enyl]-3-bromo-5-fluoro-2-methoxyphenol
CID 117441571

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol?
The IUPAC name of 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol (CID 117286690) is 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol.
What is the SMILES notation for 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol?
The canonical SMILES for 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol is COc1cc(F)c(O)cc1/C=C/CN.
What is the InChIKey of 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol?
The InChIKey is LESAMOFHCVRPIS-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-10-6-8(11)9(13)5-7(10)3-2-4-12/h2-3,5-6,13H,4,12H2,1H3/b3-2+.
What are the key properties of 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol?
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol has a molecular weight of 197.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol is sourced from PubChem (CID 117286690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).