N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine

C17H24FNO — CID 107006334

IUPACN-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCCCCCOc1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C17H24FNO/c1-2-3-4-5-6-9-20-17-11-14(10-15(18)12-17)13-19-16-7-8-16/h2,10-12,16,19H,1,3-9,13H2
InChIKeyYUNLZADTOCLXJU-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.20
Rot. Bonds10

About N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine

N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine (PubChem CID 107006334) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
PubChem CID107006334
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine
SMILESC=CCCCCCOc1cc(F)cc(CNC2CC2)c1
InChIInChI=1S/C17H24FNO/c1-2-3-4-5-6-9-20-17-11-14(10-15(18)12-17)13-19-16-7-8-16/h2,10-12,16,19H,1,3-9,13H2
InChIKeyYUNLZADTOCLXJU-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.20
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-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107006338
N-[[3-fluoro-5-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 106722555
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342
N-[(4-hept-6-enylsulfanylphenyl)methyl]cyclopropanamine
CID 107010315
N-[[4-(2-but-3-enoxyethoxy)phenyl]methyl]cyclopropanamine
CID 62443056
N-[[3-fluoro-5-(4-methoxyphenoxy)phenyl]methyl]cyclopropanamine
CID 106533367
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
N-[(2-hept-6-enoxy-3-methylphenyl)methyl]cyclopropanamine
CID 107006293
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
3-(3-fluoro-5-prop-2-enylphenoxy)propan-1-ol
CID 163778657
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
CID 107006244
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine (CID 107006334) is N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine is C=CCCCCCOc1cc(F)cc(CNC2CC2)c1.
What is the InChIKey of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine?
The InChIKey is YUNLZADTOCLXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-2-3-4-5-6-9-20-17-11-14(10-15(18)12-17)13-19-16-7-8-16/h2,10-12,16,19H,1,3-9,13H2.
What are the key properties of N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine?
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine has a molecular weight of 277.38 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 107006334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).