4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine

C14H22FNO — CID 105092697

IUPAC4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
SMILESCCNC(CCCOCC)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-16-14(9-6-10-17-4-2)12-7-5-8-13(15)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3
InChIKeyOFFXVGADLDBXAX-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.29
Rot. Bonds8

About 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine

4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine (PubChem CID 105092697) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
PubChem CID105092697
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
SMILESCCNC(CCCOCC)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-3-16-14(9-6-10-17-4-2)12-7-5-8-13(15)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3
InChIKeyOFFXVGADLDBXAX-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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

4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
CID 105142729
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine (CID 105092697) is 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine is CCNC(CCCOCC)c1cccc(F)c1.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine?
The InChIKey is OFFXVGADLDBXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-16-14(9-6-10-17-4-2)12-7-5-8-13(15)11-12/h5,7-8,11,14,16H,3-4,6,9-10H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine?
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine is sourced from PubChem (CID 105092697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).