1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

C14H14F2N2 — CID 115374301

IUPAC1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2/c1-9-5-11(8-18-7-9)14(17-2)10-3-4-12(15)13(16)6-10/h3-8,14,17H,1-2H3
InChIKeyPGAWUEDVYIZBJQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.98
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine

1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (PubChem CID 115374301) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
PubChem CID115374301
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
SMILESCNC(c1cncc(C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2/c1-9-5-11(8-18-7-9)14(17-2)10-3-4-12(15)13(16)6-10/h3-8,14,17H,1-2H3
InChIKeyPGAWUEDVYIZBJQ-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 82810031
N-methyl-1-(5-methyl-3-pyridinyl)-1-phenylmethanamine
CID 115374320
N-methyl-1-(5-methyl-3-pyridinyl)-1-pyridin-3-ylmethanamine
CID 115374295
1-(3-chloro-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023291
1-(3-iodophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105023193
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(3-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105171226
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine (CID 115374301) is 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is CNC(c1cncc(C)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
The InChIKey is PGAWUEDVYIZBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-9-5-11(8-18-7-9)14(17-2)10-3-4-12(15)13(16)6-10/h3-8,14,17H,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine?
1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine has a molecular weight of 248.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115374301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).