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

C15H24FNO2 — CID 55125060

IUPAC1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-15(2,3)9-12(17-4)10-7-13(18-5)14(19-6)8-11(10)16/h7-8,12,17H,9H2,1-6H3
InChIKeyALTYUVDCIDFIDR-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.54
Rot. Bonds5

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

1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 55125060) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID55125060
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-15(2,3)9-12(17-4)10-7-13(18-5)14(19-6)8-11(10)16/h7-8,12,17H,9H2,1-6H3
InChIKeyALTYUVDCIDFIDR-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

1-(1-bromo-3,3-dimethylbutyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447865
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62867797
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103394656
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949070
3,3,3-trifluoro-N-methyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302130
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
N-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-3-methylbutan-1-amine
CID 62865865
1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 65299488
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine (CID 55125060) is 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is ALTYUVDCIDFIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-15(2,3)9-12(17-4)10-7-13(18-5)14(19-6)8-11(10)16/h7-8,12,17H,9H2,1-6H3.
What are the key properties of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine?
1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 55125060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).