1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine

C13H18FNO — CID 114475528

IUPAC1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1c(F)cccc1OC
InChIInChI=1S/C13H18FNO/c1-9(2)7-8-11(15)13-10(14)5-4-6-12(13)16-3/h4-6,11H,1,7-8,15H2,2-3H3
InChIKeyHSFQBQMNQSXRJS-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine

1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine (PubChem CID 114475528) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine
PubChem CID114475528
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1c(F)cccc1OC
InChIInChI=1S/C13H18FNO/c1-9(2)7-8-11(15)13-10(14)5-4-6-12(13)16-3/h4-6,11H,1,7-8,15H2,2-3H3
InChIKeyHSFQBQMNQSXRJS-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171230255
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
1-(2-fluoro-6-methoxyphenyl)hex-4-yn-1-amine
CID 104806950
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1S)-1-(2-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171225298
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine (CID 114475528) is 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)c1c(F)cccc1OC.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine?
The InChIKey is HSFQBQMNQSXRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)7-8-11(15)13-10(14)5-4-6-12(13)16-3/h4-6,11H,1,7-8,15H2,2-3H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine?
1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine has a molecular weight of 223.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114475528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).