N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

C17H21FN2O — CID 107503890

IUPACN-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nc(C)c1)c1cc(F)ccc1OC
InChIInChI=1S/C17H21FN2O/c1-5-19-17(13-8-11(2)20-12(3)9-13)15-10-14(18)6-7-16(15)21-4/h6-10,17,19H,5H2,1-4H3
InChIKeyFGPMCUCPUJQPMP-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.55
Rot. Bonds5

About N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine

N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (PubChem CID 107503890) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
PubChem CID107503890
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nc(C)c1)c1cc(F)ccc1OC
InChIInChI=1S/C17H21FN2O/c1-5-19-17(13-8-11(2)20-12(3)9-13)15-10-14(18)6-7-16(15)21-4/h6-10,17,19H,5H2,1-4H3
InChIKeyFGPMCUCPUJQPMP-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105176637
N-[(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492196
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
N-[(5-fluoro-2-methoxyphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82769775
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
N-[(5-fluoro-2-methoxyphenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 82769949
N-[(5-bromo-2-methoxyphenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 43487867
N-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]ethanamine
CID 82770974
N-[(5-fluoro-2-methoxyphenyl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820102
N-[(5-fluoro-2-methoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105176560
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine (CID 107503890) is N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is CCNC(c1cc(C)nc(C)c1)c1cc(F)ccc1OC.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
The InChIKey is FGPMCUCPUJQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-5-19-17(13-8-11(2)20-12(3)9-13)15-10-14(18)6-7-16(15)21-4/h6-10,17,19H,5H2,1-4H3.
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine?
N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 107503890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).