N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine

C17H22N2O2 — CID 63840251

IUPACN-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(OC)c1)c1cc(C)ccn1
InChIInChI=1S/C17H22N2O2/c1-5-18-17(14-10-12(2)8-9-19-14)13-6-7-15(20-3)16(11-13)21-4/h6-11,17-18H,5H2,1-4H3
InChIKeyKPVWNSDFOSUHLQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.11
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine

N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63840251) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63840251
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(OC)c1)c1cc(C)ccn1
InChIInChI=1S/C17H22N2O2/c1-5-18-17(14-10-12(2)8-9-19-14)13-6-7-15(20-3)16(11-13)21-4/h6-11,17-18H,5H2,1-4H3
InChIKeyKPVWNSDFOSUHLQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63840394
N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63841105
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(4-ethylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840683
N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63841246
N-[(4-methoxyphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63839602
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
N-[(3,4-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491347
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine (CID 63840251) is N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(OC)c(OC)c1)c1cc(C)ccn1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is KPVWNSDFOSUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-18-17(14-10-12(2)8-9-19-14)13-6-7-15(20-3)16(11-13)21-4/h6-11,17-18H,5H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine?
N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63840251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).