2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol

C24H36N2O3 — CID 90143987

IUPAC2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol
SMILESCCc1cccc(Cc2cccc(C)c2O)c1OCC(C)(NCCN(C)C)OC
InChIInChI=1S/C24H36N2O3/c1-7-19-11-9-13-21(16-20-12-8-10-18(2)22(20)27)23(19)29-17-24(3,28-6)25-14-15-26(4)5/h8-13,25,27H,7,14-17H2,1-6H3
InChIKeyLAVQVRPYTUWNOS-UHFFFAOYSA-N
MW400.56 g/mol
LogP3.75
Rot. Bonds11

About 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol

2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol (PubChem CID 90143987) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol
PubChem CID90143987
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol
SMILESCCc1cccc(Cc2cccc(C)c2O)c1OCC(C)(NCCN(C)C)OC
InChIInChI=1S/C24H36N2O3/c1-7-19-11-9-13-21(16-20-12-8-10-18(2)22(20)27)23(19)29-17-24(3,28-6)25-14-15-26(4)5/h8-13,25,27H,7,14-17H2,1-6H3
InChIKeyLAVQVRPYTUWNOS-UHFFFAOYSA-N
XLogP3.75
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]acetamide
CID 59859568
2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-[[3-ethyl-2-[[2-[(3-ethyl-2-hydroxyphenyl)methyl]-6-methylphenoxy]-phenylboranyl]oxyphenyl]methyl]-6-methylphenol
CID 21015885
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 97179205
methyl 3-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylpropanoate
CID 115952595
2-methyl-6-[2-methyl-2-(methylamino)propyl]phenol
CID 83698359
ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832099
methyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832096
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol?
The IUPAC name of 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol (CID 90143987) is 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol?
The canonical SMILES for 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol is CCc1cccc(Cc2cccc(C)c2O)c1OCC(C)(NCCN(C)C)OC.
What is the InChIKey of 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol?
The InChIKey is LAVQVRPYTUWNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-7-19-11-9-13-21(16-20-12-8-10-18(2)22(20)27)23(19)29-17-24(3,28-6)25-14-15-26(4)5/h8-13,25,27H,7,14-17H2,1-6H3.
What are the key properties of 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol?
2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol has a molecular weight of 400.56 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-(dimethylamino)ethylamino]-2-methoxypropoxy]-3-ethylphenyl]methyl]-6-methylphenol is sourced from PubChem (CID 90143987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).