1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine

C17H22N2O2 — CID 66446680

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncccc1C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-19-16(12)11-17(18-2)13-8-14(20-3)10-15(9-13)21-4/h5-10,17-18H,11H2,1-4H3
InChIKeyAPISDWSAXNBDKC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.91
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine

1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 66446680) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID66446680
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncccc1C)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-19-16(12)11-17(18-2)13-8-14(20-3)10-15(9-13)21-4/h5-10,17-18H,11H2,1-4H3
InChIKeyAPISDWSAXNBDKC-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
1-(3,4-dichlorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446677
1-(4-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447073
1-(3,4-difluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446480
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448627
1-(4-bromo-3-fluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447661
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
CID 66453117
2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-3-methylpyridine
CID 66453543
3-methoxy-5-[[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126439867
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine (CID 66446680) is 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine is CNC(Cc1ncccc1C)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is APISDWSAXNBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-19-16(12)11-17(18-2)13-8-14(20-3)10-15(9-13)21-4/h5-10,17-18H,11H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine?
1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 286.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66446680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).