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

C13H13F2NO — CID 115851517

IUPAC1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(F)cc(F)c1)c1coc(C)c1
InChIInChI=1S/C13H13F2NO/c1-8-3-10(7-17-8)13(16-2)9-4-11(14)6-12(15)5-9/h3-7,13,16H,1-2H3
InChIKeyCLDXCKDABFNOQC-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.18
Rot. Bonds3

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

1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (PubChem CID 115851517) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
PubChem CID115851517
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(F)cc(F)c1)c1coc(C)c1
InChIInChI=1S/C13H13F2NO/c1-8-3-10(7-17-8)13(16-2)9-4-11(14)6-12(15)5-9/h3-7,13,16H,1-2H3
InChIKeyCLDXCKDABFNOQC-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

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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
1-(2,6-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115859709
N-methyl-1-(5-methylfuran-3-yl)-1-(3-methylphenyl)methanamine
CID 115789821
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 79704486
1-(3,5-difluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64990005
N-methyl-1-(5-methylfuran-3-yl)-1-(4-propoxyphenyl)methanamine
CID 115853275
1-(4-bromo-3-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 115851527
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine (CID 115851517) is 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is CNC(c1cc(F)cc(F)c1)c1coc(C)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
The InChIKey is CLDXCKDABFNOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-8-3-10(7-17-8)13(16-2)9-4-11(14)6-12(15)5-9/h3-7,13,16H,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine?
1-(3,5-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-(3,5-difluorophenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 115851517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).