1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine

C12H18FNO2 — CID 117327193

IUPAC1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)c(F)c1OC
InChIInChI=1S/C12H18FNO2/c1-12(2,14)7-8-5-6-9(15-3)11(16-4)10(8)13/h5-6H,7,14H2,1-4H3
InChIKeyYPZNJZCVQIDMTK-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.12
Rot. Bonds4

About 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine

1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117327193) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
PubChem CID117327193
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(CC(C)(C)N)c(F)c1OC
InChIInChI=1S/C12H18FNO2/c1-12(2,14)7-8-5-6-9(15-3)11(16-4)10(8)13/h5-6H,7,14H2,1-4H3
InChIKeyYPZNJZCVQIDMTK-UHFFFAOYSA-N
XLogP2.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
CID 59139832
6-(2-amino-2-methylpropyl)-3-methoxy-2-methylphenol
CID 117299283
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
1-(2,3-dimethoxy-4-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117391912

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine (CID 117327193) is 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine is COc1ccc(CC(C)(C)N)c(F)c1OC.
What is the InChIKey of 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is YPZNJZCVQIDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-12(2,14)7-8-5-6-9(15-3)11(16-4)10(8)13/h5-6H,7,14H2,1-4H3.
What are the key properties of 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine?
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 227.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117327193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).