1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine

C15H16F2N2O — CID 105175874

IUPAC1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccnc1OC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2O/c1-9-6-7-11(16)12(13(9)17)14(18-2)10-5-4-8-19-15(10)20-3/h4-8,14,18H,1-3H3
InChIKeyKNQGBEZHDCNZRS-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine

1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine (PubChem CID 105175874) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
PubChem CID105175874
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccnc1OC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H16F2N2O/c1-9-6-7-11(16)12(13(9)17)14(18-2)10-5-4-8-19-15(10)20-3/h4-8,14,18H,1-3H3
InChIKeyKNQGBEZHDCNZRS-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142477
1-(2-methoxy-3-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094747
[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 106945571
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105174824
1-(3,5-difluorophenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105142067
1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 82803167
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228
1-(3,5-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105097099
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82797199
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300
1-(2-methoxy-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105142640
N-[(2-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146502

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine (CID 105175874) is 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine is CNC(c1cccnc1OC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
The InChIKey is KNQGBEZHDCNZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-9-6-7-11(16)12(13(9)17)14(18-2)10-5-4-8-19-15(10)20-3/h4-8,14,18H,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine?
1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine has a molecular weight of 278.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105175874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).