2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol

C17H22N2O3 — CID 111116702

IUPAC2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2ccccn2)c(OC)c1
InChIInChI=1S/C17H22N2O3/c1-21-16-7-6-14(17(11-16)22-2)12-19(9-10-20)13-15-5-3-4-8-18-15/h3-8,11,20H,9-10,12-13H2,1-2H3
InChIKeyNSSXQJDNGTXHTI-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.09
Rot. Bonds8

About 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol

2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol (PubChem CID 111116702) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
PubChem CID111116702
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2ccccn2)c(OC)c1
InChIInChI=1S/C17H22N2O3/c1-21-16-7-6-14(17(11-16)22-2)12-19(9-10-20)13-15-5-3-4-8-18-15/h3-8,11,20H,9-10,12-13H2,1-2H3
InChIKeyNSSXQJDNGTXHTI-UHFFFAOYSA-N
XLogP2.09
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
CID 111113631
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195
6-bromo-N-[(2-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 67128562
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 16677828
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613643
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483
N'-[(4-prop-2-enoxy-2-pyridinyl)methyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102173977
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 81299989
3-methoxy-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 107208235
[4-methoxy-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]boronic acid
CID 65327432
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111297182
1-[3-(2,4-dimethoxyphenyl)-2-methyl-4H-triazol-5-yl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 123990415

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol (CID 111116702) is 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol is COc1ccc(CN(CCO)Cc2ccccn2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol?
The InChIKey is NSSXQJDNGTXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-16-7-6-14(17(11-16)22-2)12-19(9-10-20)13-15-5-3-4-8-18-15/h3-8,11,20H,9-10,12-13H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol?
2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol has a molecular weight of 302.37 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 111116702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).