1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine

C13H12F2N2 — CID 62802022

IUPAC1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1ccccn1
InChIInChI=1S/C13H12F2N2/c1-16-13(12-4-2-3-7-17-12)9-5-6-10(14)11(15)8-9/h2-8,13,16H,1H3
InChIKeyBHSUDOKBKGIRAE-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.67
Rot. Bonds3

About 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine

1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine (PubChem CID 62802022) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
PubChem CID62802022
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
SMILESCNC(c1ccc(F)c(F)c1)c1ccccn1
InChIInChI=1S/C13H12F2N2/c1-16-13(12-4-2-3-7-17-12)9-5-6-10(14)11(15)8-9/h2-8,13,16H,1H3
InChIKeyBHSUDOKBKGIRAE-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62500784
4-[methylamino(pyridin-2-yl)methyl]benzoic acid
CID 116953941
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
1-(3,4-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105145535
1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]ethanamine
CID 107288759
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43484544
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine (CID 62802022) is 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine is CNC(c1ccc(F)c(F)c1)c1ccccn1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine?
The InChIKey is BHSUDOKBKGIRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-16-13(12-4-2-3-7-17-12)9-5-6-10(14)11(15)8-9/h2-8,13,16H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine?
1-(3,4-difluorophenyl)-N-methyl-1-pyridin-2-ylmethanamine has a molecular weight of 234.25 g/mol, XLogP of 2.67, 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-pyridin-2-ylmethanamine is sourced from PubChem (CID 62802022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).