(2-fluoro-3-oct-5-enoxyphenyl)methanamine

C15H22FNO — CID 68779570

IUPAC(2-fluoro-3-oct-5-enoxyphenyl)methanamine
SMILESCCC=CCCCCOc1cccc(CN)c1F
InChIInChI=1S/C15H22FNO/c1-2-3-4-5-6-7-11-18-14-10-8-9-13(12-17)15(14)16/h3-4,8-10H,2,5-7,11-12,17H2,1H3
InChIKeyZRIHFBPHQWHXGM-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.80
Rot. Bonds8

About (2-fluoro-3-oct-5-enoxyphenyl)methanamine

(2-fluoro-3-oct-5-enoxyphenyl)methanamine (PubChem CID 68779570) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (2-fluoro-3-oct-5-enoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-oct-5-enoxyphenyl)methanamine
PubChem CID68779570
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(2-fluoro-3-oct-5-enoxyphenyl)methanamine
SMILESCCC=CCCCCOc1cccc(CN)c1F
InChIInChI=1S/C15H22FNO/c1-2-3-4-5-6-7-11-18-14-10-8-9-13(12-17)15(14)16/h3-4,8-10H,2,5-7,11-12,17H2,1H3
InChIKeyZRIHFBPHQWHXGM-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-2-[(Z)-hept-4-enoxy]benzene;hydrate
CID 143031035
(2-fluoro-3-pent-4-ynoxyphenyl)methanamine
CID 58104319
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethyl]-3-octoxybenzene
CID 139679650
1-(bromomethyl)-2-fluoro-3-octoxybenzene
CID 19033781
(2-fluoro-3-pent-2-ynoxyphenyl)methanamine
CID 68779466
2-amino-6-fluoro-N-[(2-fluoro-3-hex-3-enoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843630
(Z,2Z)-2-(1-aminoethylidene)-N-[(3-butoxy-2-fluorophenyl)methyl]hex-3-enamide
CID 89148230
[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
CID 125426921
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
CID 126583756
(E)-5-(2-fluoro-3-methoxyphenyl)pent-3-en-1-amine
CID 104795621
1-dodecoxy-2,3-difluorobenzene
CID 15854521
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-oct-5-enoxyphenyl)methanamine?
The IUPAC name of (2-fluoro-3-oct-5-enoxyphenyl)methanamine (CID 68779570) is (2-fluoro-3-oct-5-enoxyphenyl)methanamine.
What is the SMILES notation for (2-fluoro-3-oct-5-enoxyphenyl)methanamine?
The canonical SMILES for (2-fluoro-3-oct-5-enoxyphenyl)methanamine is CCC=CCCCCOc1cccc(CN)c1F.
What is the InChIKey of (2-fluoro-3-oct-5-enoxyphenyl)methanamine?
The InChIKey is ZRIHFBPHQWHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-3-4-5-6-7-11-18-14-10-8-9-13(12-17)15(14)16/h3-4,8-10H,2,5-7,11-12,17H2,1H3.
What are the key properties of (2-fluoro-3-oct-5-enoxyphenyl)methanamine?
(2-fluoro-3-oct-5-enoxyphenyl)methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-oct-5-enoxyphenyl)methanamine is sourced from PubChem (CID 68779570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).