2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride

C12H20ClNO3 — CID 2963067

IUPAC2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
SMILESCOc1ccc(CN(C)CCO)cc1OC.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-13(6-7-14)9-10-4-5-11(15-2)12(8-10)16-3;/h4-5,8,14H,6-7,9H2,1-3H3;1H
InChIKeyDMVBULCDJZZNPY-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.55
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride

2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride (PubChem CID 2963067) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
PubChem CID2963067
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
SMILESCOc1ccc(CN(C)CCO)cc1OC.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-13(6-7-14)9-10-4-5-11(15-2)12(8-10)16-3;/h4-5,8,14H,6-7,9H2,1-3H3;1H
InChIKeyDMVBULCDJZZNPY-UHFFFAOYSA-N
XLogP1.55
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338672
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
4-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 112683473
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
2-(2-chloroethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
CID 114242574
2-[(3,4-dimethoxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485867
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250884

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride (CID 2963067) is 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride is COc1ccc(CN(C)CCO)cc1OC.Cl.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride?
The InChIKey is DMVBULCDJZZNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.ClH/c1-13(6-7-14)9-10-4-5-11(15-2)12(8-10)16-3;/h4-5,8,14H,6-7,9H2,1-3H3;1H.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride?
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2963067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).