N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine

C14H22FNO — CID 107457168

IUPACN-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
SMILESCCCCOCc1cc(CNCC)ccc1F
InChIInChI=1S/C14H22FNO/c1-3-5-8-17-11-13-9-12(10-16-4-2)6-7-14(13)15/h6-7,9,16H,3-5,8,10-11H2,1-2H3
InChIKeyGEEUTICSXUMZCO-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.25
Rot. Bonds8

About N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine

N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine (PubChem CID 107457168) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
PubChem CID107457168
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
SMILESCCCCOCc1cc(CNCC)ccc1F
InChIInChI=1S/C14H22FNO/c1-3-5-8-17-11-13-9-12(10-16-4-2)6-7-14(13)15/h6-7,9,16H,3-5,8,10-11H2,1-2H3
InChIKeyGEEUTICSXUMZCO-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 107457179
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
N-[[3-(2-butoxyethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62017074
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
CID 107456817
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457974

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine (CID 107457168) is N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine is CCCCOCc1cc(CNCC)ccc1F.
What is the InChIKey of N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine?
The InChIKey is GEEUTICSXUMZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-5-8-17-11-13-9-12(10-16-4-2)6-7-14(13)15/h6-7,9,16H,3-5,8,10-11H2,1-2H3.
What are the key properties of N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine?
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107457168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).