2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine

C15H24FNO — CID 113361847

IUPAC2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COCC)Cc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-9-17-11-13(12-18-4-2)10-14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyKLWVFGLXOSRQBM-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds9

About 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine

2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 113361847) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
PubChem CID113361847
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COCC)Cc1ccccc1F
InChIInChI=1S/C15H24FNO/c1-3-9-17-11-13(12-18-4-2)10-14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyKLWVFGLXOSRQBM-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.02
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

2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
2-[(2-fluorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984662
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 115943381
3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
1-ethoxy-3-[2-(2-fluorophenyl)ethylamino]propan-2-ol
CID 63932742
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-(ethoxymethyl)-N-propylbutan-1-amine
CID 103984257

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine (CID 113361847) is 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine is CCCNCC(COCC)Cc1ccccc1F.
What is the InChIKey of 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is KLWVFGLXOSRQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-9-17-11-13(12-18-4-2)10-14-7-5-6-8-15(14)16/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine?
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 113361847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).