(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine

C12H16FNO — CID 103396908

IUPAC(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/c1ccc(OC)cc1F
InChIInChI=1S/C12H16FNO/c1-14-8-4-3-5-10-6-7-11(15-2)9-12(10)13/h3,5-7,9,14H,4,8H2,1-2H3/b5-3+
InChIKeyKRELUKYKQSNWCN-HWKANZROSA-N
MW209.26 g/mol
LogP2.46
Rot. Bonds5

About (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine

(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine (PubChem CID 103396908) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
PubChem CID103396908
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine
SMILESCNCC/C=C/c1ccc(OC)cc1F
InChIInChI=1S/C12H16FNO/c1-14-8-4-3-5-10-6-7-11(15-2)9-12(10)13/h3,5-7,9,14H,4,8H2,1-2H3/b5-3+
InChIKeyKRELUKYKQSNWCN-HWKANZROSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
4-(4-fluoro-2-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 170495635
4-methoxy-2-[4-(methylamino)but-1-enyl]benzonitrile
CID 170496210
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
(E)-4-(2,3-difluoro-4-methylphenyl)-N-methylbut-3-en-1-amine
CID 107514676
4-(4-fluoro-2-methylphenyl)-N-methylbut-3-en-1-amine
CID 79591290
(E)-4-(2-fluoro-3-methoxyphenyl)-N-methylbut-3-en-1-amine
CID 82811076
N-ethyl-4-(4-methoxy-2-methylphenyl)but-3-en-1-amine
CID 79589795
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495839
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
4-(4-ethoxy-2-fluorophenyl)but-3-ene-1-thiol
CID 170478614
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine (CID 103396908) is (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine is CNCC/C=C/c1ccc(OC)cc1F.
What is the InChIKey of (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine?
The InChIKey is KRELUKYKQSNWCN-HWKANZROSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-8-4-3-5-10-6-7-11(15-2)9-12(10)13/h3,5-7,9,14H,4,8H2,1-2H3/b5-3+.
What are the key properties of (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine?
(E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-fluoro-4-methoxyphenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 103396908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).