3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine

C15H24FNO2 — CID 81094494

IUPAC3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCOC(CCNC(C)c1cccc(F)c1)OCC
InChIInChI=1S/C15H24FNO2/c1-4-18-15(19-5-2)9-10-17-12(3)13-7-6-8-14(16)11-13/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3
InChIKeyVEJUVHYZOPUGPJ-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.27
Rot. Bonds9

About 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine

3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine (PubChem CID 81094494) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine
PubChem CID81094494
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine
SMILESCCOC(CCNC(C)c1cccc(F)c1)OCC
InChIInChI=1S/C15H24FNO2/c1-4-18-15(19-5-2)9-10-17-12(3)13-7-6-8-14(16)11-13/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3
InChIKeyVEJUVHYZOPUGPJ-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-diethoxy-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365209
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
(3R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 97103906
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
3,3-diethoxy-N-[2-(3-fluorophenyl)ethyl]propan-1-amine
CID 81093421
2-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727780
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
1-(3,3-diethoxypropyl)-3-fluorobenzene
CID 146004750
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine (CID 81094494) is 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine is CCOC(CCNC(C)c1cccc(F)c1)OCC.
What is the InChIKey of 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is VEJUVHYZOPUGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-18-15(19-5-2)9-10-17-12(3)13-7-6-8-14(16)11-13/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3.
What are the key properties of 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine?
3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81094494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).