N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine

C13H18N4O — CID 50957317

IUPACN-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
SMILESCOCC(c1ccccn1)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H18N4O/c1-17(9-13-15-7-8-16-13)12(10-18-2)11-5-3-4-6-14-11/h3-8,12H,9-10H2,1-2H3,(H,15,16)
InChIKeyRMMAAZPDUPRFHS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.62
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine

N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 50957317) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
PubChem CID50957317
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
SMILESCOCC(c1ccccn1)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H18N4O/c1-17(9-13-15-7-8-16-13)12(10-18-2)11-5-3-4-6-14-11/h3-8,12H,9-10H2,1-2H3,(H,15,16)
InChIKeyRMMAAZPDUPRFHS-UHFFFAOYSA-N
XLogP1.62
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-N-(2-phenoxyethyl)-1-pyridin-2-ylethanamine
CID 91835024
(1R)-2-methoxy-N-methyl-1-pyridin-2-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 124751761
3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
CID 131894922
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 99948017
(1S)-2-methoxy-N-methyl-N-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 125168599
2-methoxy-N-methyl-1-pyridin-2-yl-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)ethanamine
CID 163319520
N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide
CID 95136390
(1R)-2-methoxy-N-methyl-N-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 99936074
2-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]-1-morpholin-4-ylethanone
CID 124848970
1-(2,3-dihydroindol-1-yl)-2-[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]ethanone
CID 91831700
N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine
CID 22138631

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine (CID 50957317) is N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine is COCC(c1ccccn1)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is RMMAAZPDUPRFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17(9-13-15-7-8-16-13)12(10-18-2)11-5-3-4-6-14-11/h3-8,12H,9-10H2,1-2H3,(H,15,16).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine?
N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 50957317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).