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

C16H15F2NO — CID 115526259

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESFC(F)c1cccc(CNc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H15F2NO/c17-16(18)13-3-1-2-11(8-13)10-19-14-4-5-15-12(9-14)6-7-20-15/h1-5,8-9,16,19H,6-7,10H2
InChIKeyGYVJQGHDZNUVRC-UHFFFAOYSA-N
MW275.30 g/mol
LogP4.17
Rot. Bonds4

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

N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 115526259) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
PubChem CID115526259
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
SMILESFC(F)c1cccc(CNc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H15F2NO/c17-16(18)13-3-1-2-11(8-13)10-19-14-4-5-15-12(9-14)6-7-20-15/h1-5,8-9,16,19H,6-7,10H2
InChIKeyGYVJQGHDZNUVRC-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115525956
N-[(3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43426553
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-[(3-propoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 61016912
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732620
N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732659
4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804285
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43804284
N-(thiophen-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732662
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298
N-(1H-pyrrol-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 66408734
N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-amine
CID 43732657

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine (CID 115526259) is N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine is FC(F)c1cccc(CNc2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is GYVJQGHDZNUVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-16(18)13-3-1-2-11(8-13)10-19-14-4-5-15-12(9-14)6-7-20-15/h1-5,8-9,16,19H,6-7,10H2.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 275.30 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 115526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).