2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine

C17H22N2O2 — CID 105065334

IUPAC2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1ccncc1OC
InChIInChI=1S/C17H22N2O2/c1-12-5-6-16(20-3)13(9-12)10-15(18-2)14-7-8-19-11-17(14)21-4/h5-9,11,15,18H,10H2,1-4H3
InChIKeyWDIIQKBZNMPQGG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.91
Rot. Bonds6

About 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine

2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine (PubChem CID 105065334) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
PubChem CID105065334
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1ccncc1OC
InChIInChI=1S/C17H22N2O2/c1-12-5-6-16(20-3)13(9-12)10-15(18-2)14-7-8-19-11-17(14)21-4/h5-9,11,15,18H,10H2,1-4H3
InChIKeyWDIIQKBZNMPQGG-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

2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
2-(2-bromophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065184
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
1-(2-methoxy-5-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 62794931
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 107968056
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362967
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826207
1-(3-methoxy-4-pyridinyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105065859
1-(3-methoxy-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 105065296

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine (CID 105065334) is 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1OC)c1ccncc1OC.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
The InChIKey is WDIIQKBZNMPQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-6-16(20-3)13(9-12)10-15(18-2)14-7-8-19-11-17(14)21-4/h5-9,11,15,18H,10H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine?
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine 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 2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105065334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).