1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

C13H13F2NO — CID 115859709

IUPAC1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1coc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO/c1-8-6-9(7-17-8)13(16-2)12-10(14)4-3-5-11(12)15/h3-7,13,16H,1-2H3
InChIKeyIINZHWUUZJVKKR-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.18
Rot. Bonds3

About 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine

1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (PubChem CID 115859709) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
PubChem CID115859709
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1coc(C)c1)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO/c1-8-6-9(7-17-8)13(16-2)12-10(14)4-3-5-11(12)15/h3-7,13,16H,1-2H3
InChIKeyIINZHWUUZJVKKR-UHFFFAOYSA-N
XLogP3.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115791802
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115851517
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
1-(3,5-dichlorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859907
1-(2,6-difluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483206
1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 79522798
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
N-[(2,3-difluorophenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 115861901
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 43481181
1-(3-chloro-4-iodophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 103215327

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (CID 115859709) is 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is CNC(c1coc(C)c1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The InChIKey is IINZHWUUZJVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-8-6-9(7-17-8)13(16-2)12-10(14)4-3-5-11(12)15/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine has a molecular weight of 237.25 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 115859709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).