ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol

C13H23NO2 — CID 144692969

IUPACethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
SMILESCC.COc1cc(N(C)CCO)ccc1C
InChIInChI=1S/C11H17NO2.C2H6/c1-9-4-5-10(8-11(9)14-3)12(2)6-7-13;1-2/h4-5,8,13H,6-7H2,1-3H3;1-2H3
InChIKeyFMWURFLFFRQYBT-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.46
Rot. Bonds4

About ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol

ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol (PubChem CID 144692969) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol.

Molecular Properties

Compound Nameethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
PubChem CID144692969
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
SMILESCC.COc1cc(N(C)CCO)ccc1C
InChIInChI=1S/C11H17NO2.C2H6/c1-9-4-5-10(8-11(9)14-3)12(2)6-7-13;1-2/h4-5,8,13H,6-7H2,1-3H3;1-2H3
InChIKeyFMWURFLFFRQYBT-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
3-methoxy-4-methyl-N,N-dipropylaniline
CID 67208536
2-(4-bromo-N,3-dimethylanilino)ethanol
CID 82117999
3-methoxy-N,4-dimethyl-N-phenylaniline
CID 70967371
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045
N'-[3-(difluoromethoxy)-4-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693010
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
2-[N-methyl-4-(4-methylphenyl)anilino]ethanol
CID 134375637
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410
3-(3-bromo-N,4-dimethylanilino)propan-1-ol
CID 82120880

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol?
The IUPAC name of ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol (CID 144692969) is ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol.
What is the SMILES notation for ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol?
The canonical SMILES for ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol is CC.COc1cc(N(C)CCO)ccc1C.
What is the InChIKey of ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol?
The InChIKey is FMWURFLFFRQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.C2H6/c1-9-4-5-10(8-11(9)14-3)12(2)6-7-13;1-2/h4-5,8,13H,6-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol?
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol has a molecular weight of 225.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol is sourced from PubChem (CID 144692969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).