N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine

C16H19FN2 — CID 115604747

IUPACN-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc(C)nc1C
InChIInChI=1S/C16H19FN2/c1-4-18-16(13-6-8-14(17)9-7-13)15-10-5-11(2)19-12(15)3/h5-10,16,18H,4H2,1-3H3
InChIKeyZOSNHFPPMSBDDF-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.54
Rot. Bonds4

About N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine

N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine (PubChem CID 115604747) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine
PubChem CID115604747
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccc(C)nc1C
InChIInChI=1S/C16H19FN2/c1-4-18-16(13-6-8-14(17)9-7-13)15-10-5-11(2)19-12(15)3/h5-10,16,18H,4H2,1-3H3
InChIKeyZOSNHFPPMSBDDF-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dimethyl-3-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092816
N-[(2,3-difluoro-4-methylphenyl)-(2,6-dimethyl-3-pyridinyl)methyl]ethanamine
CID 107515330
N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 115604781
N-[(2,6-dimethyl-3-pyridinyl)-(2-methylphenyl)methyl]ethanamine
CID 105094633
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
N-[(4-fluoro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 63412127
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
1-(2,6-dimethyl-3-pyridinyl)-N-ethylbutan-1-amine
CID 105080327
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine (CID 115604747) is N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1ccc(C)nc1C.
What is the InChIKey of N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine?
The InChIKey is ZOSNHFPPMSBDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-4-18-16(13-6-8-14(17)9-7-13)15-10-5-11(2)19-12(15)3/h5-10,16,18H,4H2,1-3H3.
What are the key properties of N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine?
N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine has a molecular weight of 258.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-3-pyridinyl)-(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 115604747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).