1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine

C14H14F2N2 — CID 107514107

IUPAC1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(-c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C14H14F2N2/c1-9-3-4-12(14(16)13(9)15)11-5-10(6-17-2)7-18-8-11/h3-5,7-8,17H,6H2,1-2H3
InChIKeyCTDVIWSGHZICCV-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.05
Rot. Bonds3

About 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine

1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 107514107) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
PubChem CID107514107
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(-c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C14H14F2N2/c1-9-3-4-12(14(16)13(9)15)11-5-10(6-17-2)7-18-8-11/h3-5,7-8,17H,6H2,1-2H3
InChIKeyCTDVIWSGHZICCV-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-fluoro-2-methylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469674
N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 107514144
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
N-[[5-(4-bromo-3-chloro-2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 106763291
1-[5-(2-methoxy-3-pyridinyl)-3-pyridinyl]-N-methylmethanamine
CID 167816225
1-[5-(3-ethylphenyl)-3-pyridinyl]-N-methylmethanamine
CID 113469756
N-[[5-(2-fluorophenyl)-3-pyridinyl]methyl]propan-1-amine
CID 113469694
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-methyl-1-[5-[3-(2-methylpropyl)phenyl]-3-pyridinyl]methanamine
CID 116545401
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-methyl-1-[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methanamine
CID 114732239
1-[5-(3,4-dihydro-2H-chromen-8-yl)-3-pyridinyl]-N-methylmethanamine
CID 114746616

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine (CID 107514107) is 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine is CNCc1cncc(-c2ccc(C)c(F)c2F)c1.
What is the InChIKey of 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is CTDVIWSGHZICCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-9-3-4-12(14(16)13(9)15)11-5-10(6-17-2)7-18-8-11/h3-5,7-8,17H,6H2,1-2H3.
What are the key properties of 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine?
1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 248.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 107514107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).