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

C17H28FNO2 — CID 62868133

IUPAC2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C17H28FNO2/c1-6-8-9-12(7-2)17(19-3)13-10-15(20-4)16(21-5)11-14(13)18/h10-12,17,19H,6-9H2,1-5H3
InChIKeyULFIHVHPUCTNND-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.32
Rot. Bonds9

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

2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine (PubChem CID 62868133) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
PubChem CID62868133
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
SMILESCCCCC(CC)C(NC)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C17H28FNO2/c1-6-8-9-12(7-2)17(19-3)13-10-15(20-4)16(21-5)11-14(13)18/h10-12,17,19H,6-9H2,1-5H3
InChIKeyULFIHVHPUCTNND-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248
2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-amine
CID 62865686
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)butan-1-amine
CID 62867105
1-(2-fluoro-4,5-dimethoxyphenyl)heptan-1-ol
CID 114753416
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
2-ethyl-1-(2-fluoro-4-methoxyphenyl)-N-propylhexan-1-amine
CID 43561588
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
1-(2,4-difluorophenyl)-N,2-diethylhexan-1-amine
CID 43491010

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine (CID 62868133) is 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine is CCCCC(CC)C(NC)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine?
The InChIKey is ULFIHVHPUCTNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-6-8-9-12(7-2)17(19-3)13-10-15(20-4)16(21-5)11-14(13)18/h10-12,17,19H,6-9H2,1-5H3.
What are the key properties of 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine?
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 62868133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).