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

C14H22FNO2 — CID 62867797

IUPAC1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc(OC)c(OC)cc1F)C(C)(C)C
InChIInChI=1S/C14H22FNO2/c1-14(2,3)13(16-4)9-7-11(17-5)12(18-6)8-10(9)15/h7-8,13,16H,1-6H3
InChIKeyVZTMDLSGHMHLKW-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.15
Rot. Bonds4

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

1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 62867797) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID62867797
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc(OC)c(OC)cc1F)C(C)(C)C
InChIInChI=1S/C14H22FNO2/c1-14(2,3)13(16-4)9-7-11(17-5)12(18-6)8-10(9)15/h7-8,13,16H,1-6H3
InChIKeyVZTMDLSGHMHLKW-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 43561378
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
1-(4-fluoro-3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854343
1-(4-bromo-5-chloro-2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 105398791
1-(1-bromo-3,3-dimethylbutyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447865
(2S)-1-[[2,2,2-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]propan-2-ol
CID 136585322
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine (CID 62867797) is 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1cc(OC)c(OC)cc1F)C(C)(C)C.
What is the InChIKey of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is VZTMDLSGHMHLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-14(2,3)13(16-4)9-7-11(17-5)12(18-6)8-10(9)15/h7-8,13,16H,1-6H3.
What are the key properties of 1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine?
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 3.15, 4 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-trimethylpropan-1-amine is sourced from PubChem (CID 62867797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).