2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine

C15H24FNO2 — CID 116717005

IUPAC2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
SMILESCCNC(c1cccc(OC)c1F)C(CC)OCC
InChIInChI=1S/C15H24FNO2/c1-5-12(19-7-3)15(17-6-2)11-9-8-10-13(18-4)14(11)16/h8-10,12,15,17H,5-7H2,1-4H3
InChIKeyWHOZGHOYRQQSBV-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.30
Rot. Bonds8

About 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine

2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine (PubChem CID 116717005) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
PubChem CID116717005
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
SMILESCCNC(c1cccc(OC)c1F)C(CC)OCC
InChIInChI=1S/C15H24FNO2/c1-5-12(19-7-3)15(17-6-2)11-9-8-10-13(18-4)14(11)16/h8-10,12,15,17H,5-7H2,1-4H3
InChIKeyWHOZGHOYRQQSBV-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 82807914
2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116717002
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
[2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-3-methylbutyl]hydrazine
CID 105272393
N-ethyl-2-ethylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807322
N-[(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 82808349
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine (CID 116717005) is 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine is CCNC(c1cccc(OC)c1F)C(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
The InChIKey is WHOZGHOYRQQSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-12(19-7-3)15(17-6-2)11-9-8-10-13(18-4)14(11)16/h8-10,12,15,17H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 116717005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).