2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C14H22FNO2 — CID 102876306

IUPAC2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCCCOCCNCc1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-3-4-8-18-9-7-16-11-12-5-6-13(17-2)10-14(12)15/h5-6,10,16H,3-4,7-9,11H2,1-2H3
InChIKeyDTGQIMUMGGMIIB-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.74
Rot. Bonds9

About 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 102876306) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID102876306
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCCCOCCNCc1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-3-4-8-18-9-7-16-11-12-5-6-13(17-2)10-14(12)15/h5-6,10,16H,3-4,7-9,11H2,1-2H3
InChIKeyDTGQIMUMGGMIIB-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 102876689
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
2-butoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 55137655
N-[(5-bromo-2-fluorophenyl)methyl]-2-butoxyethanamine
CID 61168889
2-butoxy-N-[(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 61170307
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxybutan-1-amine
CID 114163014
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
2-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)ethanamine
CID 102878757
2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
CID 102876604
N'-[(2-fluoro-5-methoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 142265352

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 102876306) is 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCCCOCCNCc1ccc(OC)cc1F.
What is the InChIKey of 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is DTGQIMUMGGMIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-3-4-8-18-9-7-16-11-12-5-6-13(17-2)10-14(12)15/h5-6,10,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 102876306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).