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

C16H13F2NO2 — CID 43698651

IUPACN-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline
SMILESFC(F)Oc1cccc(NCc2cc3ccccc3o2)c1
InChIInChI=1S/C16H13F2NO2/c17-16(18)21-13-6-3-5-12(9-13)19-10-14-8-11-4-1-2-7-15(11)20-14/h1-9,16,19H,10H2
InChIKeyQQUYLKDCNASHBA-UHFFFAOYSA-N
MW289.28 g/mol
LogP4.65
Rot. Bonds5

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

N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline (PubChem CID 43698651) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline
PubChem CID43698651
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline
SMILESFC(F)Oc1cccc(NCc2cc3ccccc3o2)c1
InChIInChI=1S/C16H13F2NO2/c17-16(18)21-13-6-3-5-12(9-13)19-10-14-8-11-4-1-2-7-15(11)20-14/h1-9,16,19H,10H2
InChIKeyQQUYLKDCNASHBA-UHFFFAOYSA-N
XLogP4.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline
CID 29296067
3-(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109711
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
N-[(5-bromothiophen-3-yl)methyl]-3-(difluoromethoxy)aniline
CID 43699084
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 29037427
N-(1-benzofuran-2-ylmethyl)furan-2-amine
CID 69320598
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline (CID 43698651) is N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline is FC(F)Oc1cccc(NCc2cc3ccccc3o2)c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline?
The InChIKey is QQUYLKDCNASHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-16(18)21-13-6-3-5-12(9-13)19-10-14-8-11-4-1-2-7-15(11)20-14/h1-9,16,19H,10H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline?
N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline has a molecular weight of 289.28 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline is sourced from PubChem (CID 43698651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).