N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine

C13H16F3NO2 — CID 64553942

IUPACN-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCCC(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO2/c1-2-17-11-8-19-12-7-9(3-4-10(11)12)18-6-5-13(14,15)16/h3-4,7,11,17H,2,5-6,8H2,1H3
InChIKeyPFIPAAZCQHRVMW-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.06
Rot. Bonds5

About N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine

N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64553942) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64553942
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCCNC1COc2cc(OCCC(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO2/c1-2-17-11-8-19-12-7-9(3-4-10(11)12)18-6-5-13(14,15)16/h3-4,7,11,17H,2,5-6,8H2,1H3
InChIKeyPFIPAAZCQHRVMW-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103
N-ethyl-6-(3-ethylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 65094225
N-ethyl-6-(3-methylbutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 55219020
6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-ol
CID 64566719
N-ethyl-6-(2-ethylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095519
5-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]pentanenitrile
CID 63095339
6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094976
6-[(4-chlorophenyl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096753
N-ethyl-6-[(3-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 115981803
N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096041
1-[[3-(ethylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclohexan-1-ol
CID 65208377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 64553942) is N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine is CCNC1COc2cc(OCCC(F)(F)F)ccc21.
What is the InChIKey of N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is PFIPAAZCQHRVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-17-11-8-19-12-7-9(3-4-10(11)12)18-6-5-13(14,15)16/h3-4,7,11,17H,2,5-6,8H2,1H3.
What are the key properties of N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine?
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 275.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64553942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).