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

C14H20FNO — CID 107686829

IUPACN-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
SMILESC=CCCCOc1ccc(CNCC)cc1F
InChIInChI=1S/C14H20FNO/c1-3-5-6-9-17-14-8-7-12(10-13(14)15)11-16-4-2/h3,7-8,10,16H,1,4-6,9,11H2,2H3
InChIKeyYDGAJWJZPIUVHF-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.28
Rot. Bonds8

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

N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine (PubChem CID 107686829) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
PubChem CID107686829
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine
SMILESC=CCCCOc1ccc(CNCC)cc1F
InChIInChI=1S/C14H20FNO/c1-3-5-6-9-17-14-8-7-12(10-13(14)15)11-16-4-2/h3,7-8,10,16H,1,4-6,9,11H2,2H3
InChIKeyYDGAJWJZPIUVHF-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.28
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-hept-6-enoxyphenyl)methyl]ethanamine
CID 107686926
N-[(3-bromo-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006156
N-[(3-chloro-4-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006136
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
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
N-[[3-(pent-4-enoxymethyl)phenyl]methyl]ethanamine
CID 79112977
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
3-fluoro-4-pent-4-enoxybenzoic acid
CID 79113489
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine (CID 107686829) is N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine is C=CCCCOc1ccc(CNCC)cc1F.
What is the InChIKey of N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine?
The InChIKey is YDGAJWJZPIUVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-5-6-9-17-14-8-7-12(10-13(14)15)11-16-4-2/h3,7-8,10,16H,1,4-6,9,11H2,2H3.
What are the key properties of N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine?
N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pent-4-enoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107686829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).