1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C13H13F2NO — CID 43484074

IUPAC1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1F)c1ccoc1C
InChIInChI=1S/C13H13F2NO/c1-8-10(5-6-17-8)13(16-2)11-4-3-9(14)7-12(11)15/h3-7,13,16H,1-2H3
InChIKeyXUKUGQYCPPIAFC-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.18
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 43484074) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID43484074
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1ccc(F)cc1F)c1ccoc1C
InChIInChI=1S/C13H13F2NO/c1-8-10(5-6-17-8)13(16-2)11-4-3-9(14)7-12(11)15/h3-7,13,16H,1-2H3
InChIKeyXUKUGQYCPPIAFC-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-(2,4-difluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43484143
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789896
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(2-bromofuran-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 106857490
1-(2-chloro-4-methylphenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 106857516
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
1-(2,3-difluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 62649351
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 43484074) is 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(c1ccc(F)cc1F)c1ccoc1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is XUKUGQYCPPIAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-8-10(5-6-17-8)13(16-2)11-4-3-9(14)7-12(11)15/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(2,4-difluorophenyl)-N-methyl-1-(2-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-(2,4-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 43484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).