(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine

C17H22N2O2 — CID 82886390

IUPAC(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cc(OC)cc(C)n2)c1
InChIInChI=1S/C17H22N2O2/c1-12-8-17(21-4)10-15(19-12)11-18-13(2)14-6-5-7-16(9-14)20-3/h5-10,13,18H,11H2,1-4H3/t13-/m1/s1
InChIKeyFBXJXYVNJIZRRI-CYBMUJFWSA-N
MW286.38 g/mol
LogP3.26
Rot. Bonds6

About (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine

(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 82886390) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID82886390
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@@H](C)NCc2cc(OC)cc(C)n2)c1
InChIInChI=1S/C17H22N2O2/c1-12-8-17(21-4)10-15(19-12)11-18-13(2)14-6-5-7-16(9-14)20-3/h5-10,13,18H,11H2,1-4H3/t13-/m1/s1
InChIKeyFBXJXYVNJIZRRI-CYBMUJFWSA-N
XLogP3.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893911
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 112582155
(1R)-1-(2-fluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893767
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol
CID 81376228
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
(1R)-1-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81376055
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-2-phenylethanol
CID 82893531
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115592159
1-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82892971
N-[(2,3-dimethylphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 60960692

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 82886390) is (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@@H](C)NCc2cc(OC)cc(C)n2)c1.
What is the InChIKey of (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is FBXJXYVNJIZRRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-8-17(21-4)10-15(19-12)11-18-13(2)14-6-5-7-16(9-14)20-3/h5-10,13,18H,11H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine?
(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82886390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).