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

C14H20F3NO2 — CID 66205999

IUPAC2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(C)(c1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-5-8-18-13(2,14(15,16)17)10-6-7-11(19-3)12(9-10)20-4/h6-7,9,18H,5,8H2,1-4H3
InChIKeyWSHSBIHSIISMIA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.48
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine (PubChem CID 66205999) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
PubChem CID66205999
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(C)(c1ccc(OC)c(OC)c1)C(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-5-8-18-13(2,14(15,16)17)10-6-7-11(19-3)12(9-10)20-4/h6-7,9,18H,5,8H2,1-4H3
InChIKeyWSHSBIHSIISMIA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
3-(3,4-dimethoxyphenyl)-N-ethyl-1,1,1-trifluoro-2-methylpropan-2-amine
CID 66204548
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118535888
methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
2-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-propylguanidine
CID 111805182
4-[2-(2-ethyl-2-methylbutoxy)propan-2-yl]-1,2-dimethoxybenzene
CID 142285797
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]butanamide
CID 113091518
3-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N,2-dimethylpropan-2-amine
CID 66205349
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
3-(3,4-dimethoxyphenyl)-3,3-difluoropropanenitrile
CID 116840688
1-[2-(3,4-dimethoxyphenyl)propan-2-yl]-3-pentylurea
CID 113216646

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine (CID 66205999) is 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine is CCCNC(C)(c1ccc(OC)c(OC)c1)C(F)(F)F.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The InChIKey is WSHSBIHSIISMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-5-8-18-13(2,14(15,16)17)10-6-7-11(19-3)12(9-10)20-4/h6-7,9,18H,5,8H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine has a molecular weight of 291.31 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine is sourced from PubChem (CID 66205999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).