1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine

C13H13F2NO2 — CID 54880479

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C13H13F2NO2/c1-16-13(11-4-3-5-18-11)12-9(14)6-8(17-2)7-10(12)15/h3-7,13,16H,1-2H3
InChIKeyNPICJXNTSMBGNP-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.88
Rot. Bonds4

About 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine

1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 54880479) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID54880479
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1c(F)cc(OC)cc1F
InChIInChI=1S/C13H13F2NO2/c1-16-13(11-4-3-5-18-11)12-9(14)6-8(17-2)7-10(12)15/h3-7,13,16H,1-2H3
InChIKeyNPICJXNTSMBGNP-UHFFFAOYSA-N
XLogP2.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
1-(5-chloro-2-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60964483
1-(2,5-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966402
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410
1-(2,6-difluoro-4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 54880468
1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60965991
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 62649885
1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82783225
1-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792126
1-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 43626241

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine (CID 54880479) is 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccco1)c1c(F)cc(OC)cc1F.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is NPICJXNTSMBGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-16-13(11-4-3-5-18-11)12-9(14)6-8(17-2)7-10(12)15/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine?
1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 253.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 54880479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).