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

C13H20FNO — CID 82807914

IUPACN-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
SMILESCCCC(NCC)c1cccc(OC)c1F
InChIInChI=1S/C13H20FNO/c1-4-7-11(15-5-2)10-8-6-9-12(16-3)13(10)14/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeySGYHGESJTQPYIO-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.29
Rot. Bonds6

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

N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine (PubChem CID 82807914) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
PubChem CID82807914
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
SMILESCCCC(NCC)c1cccc(OC)c1F
InChIInChI=1S/C13H20FNO/c1-4-7-11(15-5-2)10-8-6-9-12(16-3)13(10)14/h6,8-9,11,15H,4-5,7H2,1-3H3
InChIKeySGYHGESJTQPYIO-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-ethylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807322
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
2-(1,3-dioxolan-2-yl)-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103547077
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
4-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N-methylbutan-1-amine
CID 105174760
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)ethanamine
CID 104793932
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
N-[(2-fluoro-3-methoxyphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 82811953
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine (CID 82807914) is N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine is CCCC(NCC)c1cccc(OC)c1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
The InChIKey is SGYHGESJTQPYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-7-11(15-5-2)10-8-6-9-12(16-3)13(10)14/h6,8-9,11,15H,4-5,7H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine?
N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 82807914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).