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

C16H18F2N2 — CID 107513783

IUPAC1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1F)c1ncc(C)cc1C
InChIInChI=1S/C16H18F2N2/c1-9-7-11(3)15(20-8-9)16(19-4)12-6-5-10(2)13(17)14(12)18/h5-8,16,19H,1-4H3
InChIKeyXBJRTWBBTALANA-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.59
Rot. Bonds3

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

1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine (PubChem CID 107513783) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine
PubChem CID107513783
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(F)c1F)c1ncc(C)cc1C
InChIInChI=1S/C16H18F2N2/c1-9-7-11(3)15(20-8-9)16(19-4)12-6-5-10(2)13(17)14(12)18/h5-8,16,19H,1-4H3
InChIKeyXBJRTWBBTALANA-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-chloro-2-fluorophenyl)-(3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 106762929
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 107515323
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 107513462
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107513634
1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116545067
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(3,5-dichloro-2-pyridinyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 79780074
[(3,5-dimethyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105266432

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine (CID 107513783) is 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine is CNC(c1ccc(C)c(F)c1F)c1ncc(C)cc1C.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine?
The InChIKey is XBJRTWBBTALANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-9-7-11(3)15(20-8-9)16(19-4)12-6-5-10(2)13(17)14(12)18/h5-8,16,19H,1-4H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine?
1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine has a molecular weight of 276.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 107513783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).