1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine

C15H21F2NO — CID 107006244

IUPAC1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
SMILESC=CCCCCCOc1c(F)cc(CNC)cc1F
InChIInChI=1S/C15H21F2NO/c1-3-4-5-6-7-8-19-15-13(16)9-12(11-18-2)10-14(15)17/h3,9-10,18H,1,4-8,11H2,2H3
InChIKeyAGBDEUNJCOGJLH-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.81
Rot. Bonds9

About 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine

1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine (PubChem CID 107006244) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
PubChem CID107006244
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
SMILESC=CCCCCCOc1c(F)cc(CNC)cc1F
InChIInChI=1S/C15H21F2NO/c1-3-4-5-6-7-8-19-15-13(16)9-12(11-18-2)10-14(15)17/h3,9-10,18H,1,4-8,11H2,2H3
InChIKeyAGBDEUNJCOGJLH-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.81
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

N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 79892106
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
1-[3,5-difluoro-4-(4,4,4-trifluorobutoxy)phenyl]-N-methylmethanamine
CID 115513282
4-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 79892079
2-[2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]ethoxy]ethanol
CID 79891777
N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107686926
N-[(3,5-difluoro-4-heptoxyphenyl)methyl]ethanamine
CID 79892240
N-[(3,5-difluoro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 79883668
1-[3,5-difluoro-4-(2-propylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 106722374
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107006338
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine (CID 107006244) is 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine is C=CCCCCCOc1c(F)cc(CNC)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine?
The InChIKey is AGBDEUNJCOGJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-4-5-6-7-8-19-15-13(16)9-12(11-18-2)10-14(15)17/h3,9-10,18H,1,4-8,11H2,2H3.
What are the key properties of 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine?
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine has a molecular weight of 269.33 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107006244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).