N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine

C15H24FNO2 — CID 62865865

IUPACN-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-6-17-13(7-10(2)3)11-8-14(18-4)15(19-5)9-12(11)16/h8-10,13,17H,6-7H2,1-5H3
InChIKeyLXXWRJNLSZGHJO-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.54
Rot. Bonds7

About N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine

N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine (PubChem CID 62865865) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
PubChem CID62865865
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-6-17-13(7-10(2)3)11-8-14(18-4)15(19-5)9-12(11)16/h8-10,13,17H,6-7H2,1-5H3
InChIKeyLXXWRJNLSZGHJO-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
CID 62865686
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
2-cyclobutyl-N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)ethanamine
CID 103163113
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63082631
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylbutan-1-amine
CID 171214001
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 55125060
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
(2S)-1-[[2,2,2-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]propan-2-ol
CID 136585322
5-(2-fluoro-4,5-dimethoxyphenyl)heptane-2,3-diol
CID 83922798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine (CID 62865865) is N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine is CCNC(CC(C)C)c1cc(OC)c(OC)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is LXXWRJNLSZGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-6-17-13(7-10(2)3)11-8-14(18-4)15(19-5)9-12(11)16/h8-10,13,17H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine?
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 62865865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).