N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine

C16H15F2NO2 — CID 43732620

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESFC(F)Oc1ccc(CNc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H15F2NO2/c17-16(18)21-14-4-1-11(2-5-14)10-19-13-3-6-15-12(9-13)7-8-20-15/h1-6,9,16,19H,7-8,10H2
InChIKeyKPKARZCJGPIQIC-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.84
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 43732620) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID43732620
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESFC(F)Oc1ccc(CNc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H15F2NO2/c17-16(18)21-14-4-1-11(2-5-14)10-19-13-3-6-15-12(9-13)7-8-20-15/h1-6,9,16,19H,7-8,10H2
InChIKeyKPKARZCJGPIQIC-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804285
N-[4-(difluoromethoxy)phenyl]-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1-carbothioamide
CID 8500214
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-[(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 105401308
5-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]-2-fluorobenzonitrile
CID 103756683
N-[(3-bromo-4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788544
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 43732620) is N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine is FC(F)Oc1ccc(CNc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is KPKARZCJGPIQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-16(18)21-14-4-1-11(2-5-14)10-19-13-3-6-15-12(9-13)7-8-20-15/h1-6,9,16,19H,7-8,10H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 291.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 43732620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).