2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol

C13H22N2O2 — CID 84754903

IUPAC2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol
SMILESCCOc1cc(CN(C)CCO)ccc1CN
InChIInChI=1S/C13H22N2O2/c1-3-17-13-8-11(4-5-12(13)9-14)10-15(2)6-7-16/h4-5,8,16H,3,6-7,9-10,14H2,1-2H3
InChIKeyMLCJJGVUWVPASO-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.97
Rot. Bonds7

About 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol

2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol (PubChem CID 84754903) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol
PubChem CID84754903
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol
SMILESCCOc1cc(CN(C)CCO)ccc1CN
InChIInChI=1S/C13H22N2O2/c1-3-17-13-8-11(4-5-12(13)9-14)10-15(2)6-7-16/h4-5,8,16H,3,6-7,9-10,14H2,1-2H3
InChIKeyMLCJJGVUWVPASO-UHFFFAOYSA-N
XLogP0.97
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-ethylethanamine
CID 84754901
3-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-ethylamino]propanoic acid
CID 84754920
N-[[4-(aminomethyl)-3-ethoxyphenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 84754898
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]ethanol
CID 63888237
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
2-[4-(aminomethyl)-2-ethoxyphenyl]acetic acid
CID 141481719
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol (CID 84754903) is 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol is CCOc1cc(CN(C)CCO)ccc1CN.
What is the InChIKey of 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol?
The InChIKey is MLCJJGVUWVPASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-17-13-8-11(4-5-12(13)9-14)10-15(2)6-7-16/h4-5,8,16H,3,6-7,9-10,14H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol?
2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-ethoxyphenyl]methyl-methylamino]ethanol is sourced from PubChem (CID 84754903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).