1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C14H17ClF3NO2 — CID 103216145

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C14H17ClF3NO2/c1-19-12(7-20-8-14(16,17)18)6-10-5-11(15)4-9-2-3-21-13(9)10/h4-5,12,19H,2-3,6-8H2,1H3
InChIKeyYNWBJUAONOPHEF-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.98
Rot. Bonds6

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103216145) has the molecular formula C14H17ClF3NO2 and a molecular weight of 323.74 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103216145
Molecular FormulaC14H17ClF3NO2
Molecular Weight323.74 g/mol
Exact Mass323.09
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCNC(COCC(F)(F)F)Cc1cc(Cl)cc2c1OCC2
InChIInChI=1S/C14H17ClF3NO2/c1-19-12(7-20-8-14(16,17)18)6-10-5-11(15)4-9-2-3-21-13(9)10/h4-5,12,19H,2-3,6-8H2,1H3
InChIKeyYNWBJUAONOPHEF-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178379
1-(2,4-dichlorophenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214931
[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215670
3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105031458
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105031427
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine
CID 113403548
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-2-ol
CID 113403524
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178479
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105178381
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721258

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103216145) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CNC(COCC(F)(F)F)Cc1cc(Cl)cc2c1OCC2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is YNWBJUAONOPHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2/c1-19-12(7-20-8-14(16,17)18)6-10-5-11(15)4-9-2-3-21-13(9)10/h4-5,12,19H,2-3,6-8H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 323.74 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103216145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).