2-fluoro-3-[4-(methylamino)but-1-enyl]phenol

C11H14FNO — CID 170495366

IUPAC2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
SMILESCNCCC=Cc1cccc(O)c1F
InChIInChI=1S/C11H14FNO/c1-13-8-3-2-5-9-6-4-7-10(14)11(9)12/h2,4-7,13-14H,3,8H2,1H3
InChIKeyMLINLGBWZJRNAQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.15
Rot. Bonds4

About 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol

2-fluoro-3-[4-(methylamino)but-1-enyl]phenol (PubChem CID 170495366) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
PubChem CID170495366
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
SMILESCNCCC=Cc1cccc(O)c1F
InChIInChI=1S/C11H14FNO/c1-13-8-3-2-5-9-6-4-7-10(14)11(9)12/h2,4-7,13-14H,3,8H2,1H3
InChIKeyMLINLGBWZJRNAQ-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-fluoro-3-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 82811076
(E)-4-(2,3-difluoro-4-methylphenyl)-N-methylbut-3-en-1-amine
CID 107514676
4-(2-fluoro-3-nitrophenyl)-N-methylbut-3-en-1-amine
CID 170496164
N-methyl-4-[2-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170496226
4-(2-fluoro-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495257
4-[4-(methylamino)but-1-enyl]naphthalen-1-ol
CID 170496452
3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869
4-(3-fluoro-2-nitrophenyl)-N-methylbut-3-en-1-amine
CID 170496160
N-[[2-[4-(methylamino)but-1-enyl]phenyl]methylidene]hydroxylamine
CID 170495845
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol?
The IUPAC name of 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol (CID 170495366) is 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol.
What is the SMILES notation for 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol?
The canonical SMILES for 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol is CNCCC=Cc1cccc(O)c1F.
What is the InChIKey of 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol?
The InChIKey is MLINLGBWZJRNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-13-8-3-2-5-9-6-4-7-10(14)11(9)12/h2,4-7,13-14H,3,8H2,1H3.
What are the key properties of 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol?
2-fluoro-3-[4-(methylamino)but-1-enyl]phenol has a molecular weight of 195.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[4-(methylamino)but-1-enyl]phenol is sourced from PubChem (CID 170495366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).