(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine

C12H16FNO — CID 104795621

IUPAC(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1cccc(C/C=C/CCN)c1F
InChIInChI=1S/C12H16FNO/c1-15-11-8-5-7-10(12(11)13)6-3-2-4-9-14/h2-3,5,7-8H,4,6,9,14H2,1H3/b3-2+
InChIKeyRHYOTDHLFCLNTD-NSCUHMNNSA-N
MW209.26 g/mol
LogP2.28
Rot. Bonds5

About (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine

(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine (PubChem CID 104795621) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine
PubChem CID104795621
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1cccc(C/C=C/CCN)c1F
InChIInChI=1S/C12H16FNO/c1-15-11-8-5-7-10(12(11)13)6-3-2-4-9-14/h2-3,5,7-8H,4,6,9,14H2,1H3/b3-2+
InChIKeyRHYOTDHLFCLNTD-NSCUHMNNSA-N
XLogP2.28
TPSA35.25 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 ≤ 52.28
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

1-[(E)-5-bromopent-2-enyl]-2-fluoro-3-methoxybenzene
CID 104795617
(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
(E)-5-(2-chloro-3-fluorophenyl)pent-3-en-1-amine
CID 112654988
(E)-4-(2,6-dimethoxyphenyl)but-3-en-1-amine
CID 116811328
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
4-(2-fluoro-3-methoxyphenyl)butanal
CID 104795063
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-amine
CID 113453864
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine?
The IUPAC name of (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine (CID 104795621) is (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine is COc1cccc(C/C=C/CCN)c1F.
What is the InChIKey of (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine?
The InChIKey is RHYOTDHLFCLNTD-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-11-8-5-7-10(12(11)13)6-3-2-4-9-14/h2-3,5,7-8H,4,6,9,14H2,1H3/b3-2+.
What are the key properties of (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine?
(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine is sourced from PubChem (CID 104795621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).