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

C15H24FNO2 — CID 62866754

IUPAC1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-7-15(2,3)14(17-4)10-8-12(18-5)13(19-6)9-11(10)16/h8-9,14,17H,7H2,1-6H3
InChIKeyLAOLBHOCNIRSRK-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.54
Rot. Bonds6

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

1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 62866754) 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,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID62866754
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-7-15(2,3)14(17-4)10-8-12(18-5)13(19-6)9-11(10)16/h8-9,14,17H,7H2,1-6H3
InChIKeyLAOLBHOCNIRSRK-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62867797
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949070
1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 55125060
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(2-chloro-4,5-diethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 63507198
N-ethyl-2,2-dimethyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302805
1-(1-bromo-3,3-dimethylbutyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447865
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
CID 105330933
(2S)-1-[[2,2,2-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]propan-2-ol
CID 136585322
2-ethyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylhexan-1-amine
CID 62868133

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine (CID 62866754) is 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine is CCC(C)(C)C(NC)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is LAOLBHOCNIRSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-7-15(2,3)14(17-4)10-8-12(18-5)13(19-6)9-11(10)16/h8-9,14,17H,7H2,1-6H3.
What are the key properties of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine?
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.54, 6 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,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 62866754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).