(3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine

C10H10F3NO2 — CID 164867347

IUPAC(3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCN[C@H]1COc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C10H10F3NO2/c1-14-8-5-15-9-4-6(2-3-7(8)9)16-10(11,12)13/h2-4,8,14H,5H2,1H3/t8-/m0/s1
InChIKeyJCGSGGDVDVMRHJ-QMMMGPOBSA-N
MW233.19 g/mol
LogP2.24
Rot. Bonds2

About (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine

(3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 164867347) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID164867347
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name(3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
SMILESCN[C@H]1COc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C10H10F3NO2/c1-14-8-5-15-9-4-6(2-3-7(8)9)16-10(11,12)13/h2-4,8,14H,5H2,1H3/t8-/m0/s1
InChIKeyJCGSGGDVDVMRHJ-QMMMGPOBSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-Dimethoxyphenyl)pyrrolidine
CID 5236071
N-((3S)-6-((2,6-Difluorophenyl)methoxy)-2,3-dihydro-3-benzofuranyl)-N-hydroxyurea
CID 178072
[(2,4-Dimethoxyphenyl)methyl](ethyl)amine
CID 2250967
(2,4-Dimethoxybenzyl)(1-ethylpropyl)amine
CID 775201
N-ethyl-1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethanamine
CID 73333432
N-[1-(7-methoxy-2,2-dimethyl-chromen-6-yl)ethyl]butan-1-amine
CID 73333433
[(2,4-Dimethoxyphenyl)methyl](methyl)amine
CID 2416536
Tert-butyl[(2,4-dimethoxyphenyl)methyl]amine
CID 4719047
2-(2,4-Dimethoxyphenyl)-1,3-oxazolidine
CID 3056415
2-(((2,4-Dimethoxyphenyl)methyl)amino)ethan-1-ol
CID 4719059
7-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine
CID 54595383
N-[(2,4,6-trimethoxyphenyl)methyl]propan-2-amine
CID 43090889

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine (CID 164867347) is (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine is CN[C@H]1COc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JCGSGGDVDVMRHJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-14-8-5-15-9-4-6(2-3-7(8)9)16-10(11,12)13/h2-4,8,14H,5H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine?
(3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 233.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 164867347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).