2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol

C13H22N2O2 — CID 114231232

IUPAC2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCCN(CCN)CC(O)c1cccc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-3-15(8-7-14)10-13(16)11-5-4-6-12(9-11)17-2/h4-6,9,13,16H,3,7-8,10,14H2,1-2H3
InChIKeyZHBCLXSRUMPCMN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.01
Rot. Bonds7

About 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol

2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol (PubChem CID 114231232) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
PubChem CID114231232
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
SMILESCCN(CCN)CC(O)c1cccc(OC)c1
InChIInChI=1S/C13H22N2O2/c1-3-15(8-7-14)10-13(16)11-5-4-6-12(9-11)17-2/h4-6,9,13,16H,3,7-8,10,14H2,1-2H3
InChIKeyZHBCLXSRUMPCMN-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
2-[cyanomethyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetonitrile
CID 81137106
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
2-[2-hydroxyethyl(prop-2-enyl)amino]-1-(3-methoxyphenyl)ethanol
CID 113237463
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
2-[azetidin-3-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133809
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol (CID 114231232) is 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol is CCN(CCN)CC(O)c1cccc(OC)c1.
What is the InChIKey of 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is ZHBCLXSRUMPCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-15(8-7-14)10-13(16)11-5-4-6-12(9-11)17-2/h4-6,9,13,16H,3,7-8,10,14H2,1-2H3.
What are the key properties of 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol?
2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 114231232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).