2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline

C16H15F2NO2 — CID 79218655

IUPAC2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
SMILESFC(F)Oc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C16H15F2NO2/c17-16(18)21-15-8-4-2-6-13(15)19-9-11-10-20-14-7-3-1-5-12(11)14/h1-8,11,16,19H,9-10H2
InChIKeyICVRGWGUXHWVCA-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.88
Rot. Bonds5

About 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline

2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline (PubChem CID 79218655) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
PubChem CID79218655
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
SMILESFC(F)Oc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C16H15F2NO2/c17-16(18)21-15-8-4-2-6-13(15)19-9-11-10-20-14-7-3-1-5-12(11)14/h1-8,11,16,19H,9-10H2
InChIKeyICVRGWGUXHWVCA-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218637
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
CID 107573888
N-(cyclohex-3-en-1-ylmethyl)-2-(difluoromethoxy)aniline
CID 43094225
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 4153038
3-(difluoromethoxy)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-nitroaniline
CID 133321069
2-(difluoromethoxy)-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172188
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylaniline
CID 79226180

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline (CID 79218655) is 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline is FC(F)Oc1ccccc1NCC1COc2ccccc21.
What is the InChIKey of 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The InChIKey is ICVRGWGUXHWVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-16(18)21-15-8-4-2-6-13(15)19-9-11-10-20-14-7-3-1-5-12(11)14/h1-8,11,16,19H,9-10H2.
What are the key properties of 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline has a molecular weight of 291.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline is sourced from PubChem (CID 79218655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).