2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline

C13H13F2NO2 — CID 28623990

IUPAC2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2OC(F)F)o1
InChIInChI=1S/C13H13F2NO2/c1-9-6-7-10(17-9)8-16-11-4-2-3-5-12(11)18-13(14)15/h2-7,13,16H,8H2,1H3
InChIKeyQMFRUJWSPHILFL-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.80
Rot. Bonds5

About 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline

2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 28623990) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID28623990
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2OC(F)F)o1
InChIInChI=1S/C13H13F2NO2/c1-9-6-7-10(17-9)8-16-11-4-2-3-5-12(11)18-13(14)15/h2-7,13,16H,8H2,1H3
InChIKeyQMFRUJWSPHILFL-UHFFFAOYSA-N
XLogP3.80
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28978222
2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741993
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311383
5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
CID 104608047
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43744046
2-(difluoromethoxy)-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833758
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline (CID 28623990) is 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CNc2ccccc2OC(F)F)o1.
What is the InChIKey of 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is QMFRUJWSPHILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-9-6-7-10(17-9)8-16-11-4-2-3-5-12(11)18-13(14)15/h2-7,13,16H,8H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline?
2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 253.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 28623990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).