2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine

C14H22FNO — CID 43487704

IUPAC2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-5-10(6-2)14(16-3)11-7-8-13(17-4)12(15)9-11/h7-10,14,16H,5-6H2,1-4H3
InChIKeyJLVSXLAXIFYVNK-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.53
Rot. Bonds6

About 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine

2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 43487704) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID43487704
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO/c1-5-10(6-2)14(16-3)11-7-8-13(17-4)12(15)9-11/h7-10,14,16H,5-6H2,1-4H3
InChIKeyJLVSXLAXIFYVNK-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]butanenitrile
CID 116960518
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
2-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]butan-1-ol
CID 116959867
2-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960662
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine (CID 43487704) is 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine is CCC(CC)C(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is JLVSXLAXIFYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-10(6-2)14(16-3)11-7-8-13(17-4)12(15)9-11/h7-10,14,16H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine?
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 43487704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).