N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C20H29N3O2 — CID 16677828

IUPACN'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cc(C)c(CN(CCN(C)C)Cc2ccccn2)cc1OC
InChIInChI=1S/C20H29N3O2/c1-16-12-19(24-4)20(25-5)13-17(16)14-23(11-10-22(2)3)15-18-8-6-7-9-21-18/h6-9,12-13H,10-11,14-15H2,1-5H3
InChIKeyWQTVZNOCOJRGKR-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.97
Rot. Bonds9

About N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 16677828) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID16677828
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCOc1cc(C)c(CN(CCN(C)C)Cc2ccccn2)cc1OC
InChIInChI=1S/C20H29N3O2/c1-16-12-19(24-4)20(25-5)13-17(16)14-23(11-10-22(2)3)15-18-8-6-7-9-21-18/h6-9,12-13H,10-11,14-15H2,1-5H3
InChIKeyWQTVZNOCOJRGKR-UHFFFAOYSA-N
XLogP2.97
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
CID 111116702
6-bromo-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 67128562
N'-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 110245160
N,N-dimethyl-N'-(pyridin-2-ylmethyl)-N'-[(3-pyrimidin-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 46961968
N'-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 92593514
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
N,N-dimethyl-N'-[(3-propan-2-yloxyphenyl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46954083
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N,N-dimethyl-N'-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961962

Frequently Asked Questions

What is the IUPAC name of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 16677828) is N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is COc1cc(C)c(CN(CCN(C)C)Cc2ccccn2)cc1OC.
What is the InChIKey of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is WQTVZNOCOJRGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-12-19(24-4)20(25-5)13-17(16)14-23(11-10-22(2)3)15-18-8-6-7-9-21-18/h6-9,12-13H,10-11,14-15H2,1-5H3.
What are the key properties of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 343.47 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 16677828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).