N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine

C23H33N3O2 — CID 131943986

IUPACN-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCOc1cc(CN(C)Cc2cc(C)cc(C)n2)ccc1OCCN1CCCC1
InChIInChI=1S/C23H33N3O2/c1-18-13-19(2)24-21(14-18)17-25(3)16-20-7-8-22(23(15-20)27-4)28-12-11-26-9-5-6-10-26/h7-8,13-15H,5-6,9-12,16-17H2,1-4H3
InChIKeyAJKSZGYZXAAJDL-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.81
Rot. Bonds9

About N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine

N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine (PubChem CID 131943986) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
PubChem CID131943986
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCOc1cc(CN(C)Cc2cc(C)cc(C)n2)ccc1OCCN1CCCC1
InChIInChI=1S/C23H33N3O2/c1-18-13-19(2)24-21(14-18)17-25(3)16-20-7-8-22(23(15-20)27-4)28-12-11-26-9-5-6-10-26/h7-8,13-15H,5-6,9-12,16-17H2,1-4H3
InChIKeyAJKSZGYZXAAJDL-UHFFFAOYSA-N
XLogP3.81
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine with MolForge

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Related Compounds

2-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 56700061
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
1-[2-[2-methoxy-4-[(3S)-3-methyl-5-(4-methylphenyl)pentyl]phenoxy]ethyl]pyrrolidine
CID 148956256
1-[[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl-methylamino]-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 167244426
1-(4,6-dimethyl-2-pyridinyl)-N-[(2-methoxypyrimidin-5-yl)methyl]-N-methylmethanamine
CID 131897657
3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[(4-methylphenyl)methoxymethyl]-1,2,4-oxadiazole
CID 71496709
1-(2,4-dimethylphenoxy)-3-[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 155992119
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 106785505
1-(azocan-1-yl)-3-[2-methoxy-4-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45204586
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine
CID 162630016
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034554

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine (CID 131943986) is N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine is COc1cc(CN(C)Cc2cc(C)cc(C)n2)ccc1OCCN1CCCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is AJKSZGYZXAAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-18-13-19(2)24-21(14-18)17-25(3)16-20-7-8-22(23(15-20)27-4)28-12-11-26-9-5-6-10-26/h7-8,13-15H,5-6,9-12,16-17H2,1-4H3.
What are the key properties of N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 383.54 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyridinyl)methyl]-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 131943986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).