2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine

C15H24FNO2 — CID 116759493

IUPAC2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine
SMILESCCOC(CC)(CC)C(N)c1cc(F)ccc1OC
InChIInChI=1S/C15H24FNO2/c1-5-15(6-2,19-7-3)14(17)12-10-11(16)8-9-13(12)18-4/h8-10,14H,5-7,17H2,1-4H3
InChIKeyFPDLPGXRLAHGJS-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.43
Rot. Bonds7

About 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine

2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine (PubChem CID 116759493) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine
PubChem CID116759493
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine
SMILESCCOC(CC)(CC)C(N)c1cc(F)ccc1OC
InChIInChI=1S/C15H24FNO2/c1-5-15(6-2,19-7-3)14(17)12-10-11(16)8-9-13(12)18-4/h8-10,14H,5-7,17H2,1-4H3
InChIKeyFPDLPGXRLAHGJS-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-amine
CID 116759700
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
2-ethoxy-2-ethyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 103395886
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(3S)-3-amino-3-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 131016140
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
CID 105330933
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
2-ethoxy-2-ethyl-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 116759494

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine (CID 116759493) is 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine is CCOC(CC)(CC)C(N)c1cc(F)ccc1OC.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine?
The InChIKey is FPDLPGXRLAHGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-15(6-2,19-7-3)14(17)12-10-11(16)8-9-13(12)18-4/h8-10,14H,5-7,17H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine?
2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 116759493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).