4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol

C18H25N3O2 — CID 43817991

IUPAC4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(CCN(C)C)Cc2cccnc2)ccc1O
InChIInChI=1S/C18H25N3O2/c1-20(2)9-10-21(14-16-5-4-8-19-12-16)13-15-6-7-17(22)18(11-15)23-3/h4-8,11-12,22H,9-10,13-14H2,1-3H3
InChIKeyJYZRGIUQWNHSQT-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.36
Rot. Bonds8

About 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol

4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol (PubChem CID 43817991) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
PubChem CID43817991
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CN(CCN(C)C)Cc2cccnc2)ccc1O
InChIInChI=1S/C18H25N3O2/c1-20(2)9-10-21(14-16-5-4-8-19-12-16)13-15-6-7-17(22)18(11-15)23-3/h4-8,11-12,22H,9-10,13-14H2,1-3H3
InChIKeyJYZRGIUQWNHSQT-UHFFFAOYSA-N
XLogP2.36
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 42480956
N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 84746205
N-ethyl-N-[[3-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746118
N,N-dimethyl-N'-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818008
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20766140
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46997920
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol (CID 43817991) is 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol is COc1cc(CN(CCN(C)C)Cc2cccnc2)ccc1O.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol?
The InChIKey is JYZRGIUQWNHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20(2)9-10-21(14-16-5-4-8-19-12-16)13-15-6-7-17(22)18(11-15)23-3/h4-8,11-12,22H,9-10,13-14H2,1-3H3.
What are the key properties of 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol?
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol has a molecular weight of 315.42 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 43817991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).