N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine

C16H24FNO — CID 107686926

IUPACN-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
SMILESC=CCCCCCOc1ccc(CNCC)cc1F
InChIInChI=1S/C16H24FNO/c1-3-5-6-7-8-11-19-16-10-9-14(12-15(16)17)13-18-4-2/h3,9-10,12,18H,1,4-8,11,13H2,2H3
InChIKeyYWRWXVMLBMDSCB-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.06
Rot. Bonds10

About N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine

N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine (PubChem CID 107686926) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
PubChem CID107686926
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine
SMILESC=CCCCCCOc1ccc(CNCC)cc1F
InChIInChI=1S/C16H24FNO/c1-3-5-6-7-8-11-19-16-10-9-14(12-15(16)17)13-18-4-2/h3,9-10,12,18H,1,4-8,11,13H2,2H3
InChIKeyYWRWXVMLBMDSCB-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.06
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-4-pent-4-enoxyphenyl)methyl]ethanamine
CID 107686829
N-[(3-bromo-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006156
N-[(3-chloro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006136
N-[[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686830
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
N-[[4-[(3,5-dimethylphenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686901
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 107686809
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
1-(3,5-difluoro-4-hept-6-enoxyphenyl)-N-methylmethanamine
CID 107006244
3-fluoro-4-pent-4-enoxybenzoic acid
CID 79113489
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine (CID 107686926) is N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine is C=CCCCCCOc1ccc(CNCC)cc1F.
What is the InChIKey of N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine?
The InChIKey is YWRWXVMLBMDSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-5-6-7-8-11-19-16-10-9-14(12-15(16)17)13-18-4-2/h3,9-10,12,18H,1,4-8,11,13H2,2H3.
What are the key properties of N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine?
N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-hept-6-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107686926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).