1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C14H18F3NO — CID 62325970

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H18F3NO/c1-13(2)7-10-6-9(4-5-12(10)19-13)11(18-3)8-14(15,16)17/h4-6,11,18H,7-8H2,1-3H3
InChIKeyDTWFSSFGLWBWFW-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.61
Rot. Bonds3

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 62325970) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID62325970
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C14H18F3NO/c1-13(2)7-10-6-9(4-5-12(10)19-13)11(18-3)8-14(15,16)17/h4-6,11,18H,7-8H2,1-3H3
InChIKeyDTWFSSFGLWBWFW-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-chloro-2,2,2-trifluoroethyl)-2,2-dimethyl-3H-1-benzofuran
CID 55061822
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156251
5-(1-bromo-2-ethylbutyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447709
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-propylhexan-1-amine
CID 63506701
3-(2,2-dimethyl-3H-1-benzofuran-5-yl)butanal
CID 117311166
1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
CID 63505070
5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447752
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015238
5-[chloro-(3,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447840
1-(2,5-dichlorothiophen-3-yl)-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
CID 107960964
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)octan-1-amine
CID 63504906
7-[3,3,3-trifluoro-1-(methylamino)propyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525875

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 62325970) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is DTWFSSFGLWBWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(2)7-10-6-9(4-5-12(10)19-13)11(18-3)8-14(15,16)17/h4-6,11,18H,7-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 62325970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).