3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine

C14H20F3NO2 — CID 66204548

IUPAC3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine
SMILESCCNC(C)(Cc1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-5-18-13(2,14(15,16)17)9-10-6-7-11(19-3)12(8-10)20-4/h6-8,18H,5,9H2,1-4H3
InChIKeyKHJKHORZHPOXFA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.18
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine

3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine (PubChem CID 66204548) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine
PubChem CID66204548
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine
SMILESCCNC(C)(Cc1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-5-18-13(2,14(15,16)17)9-10-6-7-11(19-3)12(8-10)20-4/h6-8,18H,5,9H2,1-4H3
InChIKeyKHJKHORZHPOXFA-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine
CID 66205349
4-(3,4-dimethoxyphenyl)-3-(ethylamino)-3-methylbutanoic acid
CID 65233704
1-bromo-3-(3,4-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-ol
CID 107140181
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328
2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 66205999
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
(2R)-2-(chloromethylamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrile
CID 164554047
ethyl 3-(3,4-dimethoxyphenyl)-2-hydroxy-2-methylpropanoate
CID 18987060
1-(3,4-dimethoxyphenyl)-2,3-dimethylhexan-2-amine
CID 107892398

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine (CID 66204548) is 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine is CCNC(C)(Cc1ccc(OC)c(OC)c1)C(F)(F)F.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine?
The InChIKey is KHJKHORZHPOXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-5-18-13(2,14(15,16)17)9-10-6-7-11(19-3)12(8-10)20-4/h6-8,18H,5,9H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine?
3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine has a molecular weight of 291.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine is sourced from PubChem (CID 66204548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).