1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine

C12H18FNO2 — CID 117327192

IUPAC1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(F)c(OC)c1CC(C)(C)N
InChIInChI=1S/C12H18FNO2/c1-12(2,14)7-8-10(15-3)6-5-9(13)11(8)16-4/h5-6H,7,14H2,1-4H3
InChIKeyUBLVRSGFRCWJJX-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.12
Rot. Bonds4

About 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine

1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117327192) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
PubChem CID117327192
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1ccc(F)c(OC)c1CC(C)(C)N
InChIInChI=1S/C12H18FNO2/c1-12(2,14)7-8-10(15-3)6-5-9(13)11(8)16-4/h5-6H,7,14H2,1-4H3
InChIKeyUBLVRSGFRCWJJX-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

3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
CID 130954694
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386547
1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
2-methyl-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-2-amine
CID 117337721
2-(2-amino-2-methylpropyl)-3-methoxy-6-methylphenol
CID 117299270
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
2-(2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83410012
1-[2-(fluoromethyl)-6-methoxyphenyl]-2-methylpropan-2-amine
CID 117302010
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine (CID 117327192) is 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine is COc1ccc(F)c(OC)c1CC(C)(C)N.
What is the InChIKey of 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is UBLVRSGFRCWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-12(2,14)7-8-10(15-3)6-5-9(13)11(8)16-4/h5-6H,7,14H2,1-4H3.
What are the key properties of 1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine?
1-(3-fluoro-2,6-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-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117327192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).