2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol

C13H22N2O2 — CID 61242461

IUPAC2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
SMILESNCC(CN(CCO)CCO)c1ccccc1
InChIInChI=1S/C13H22N2O2/c14-10-13(12-4-2-1-3-5-12)11-15(6-8-16)7-9-17/h1-5,13,16-17H,6-11,14H2
InChIKeyAJRJMEVYHQZEFL-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.02
Rot. Bonds8

About 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol

2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 61242461) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID61242461
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
SMILESNCC(CN(CCO)CCO)c1ccccc1
InChIInChI=1S/C13H22N2O2/c14-10-13(12-4-2-1-3-5-12)11-15(6-8-16)7-9-17/h1-5,13,16-17H,6-11,14H2
InChIKeyAJRJMEVYHQZEFL-UHFFFAOYSA-N
XLogP0.02
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
CID 43532152
2-[bis(3,3-diphenylpropyl)amino]ethanol
CID 12831214
2-[(3-amino-2-phenylpropyl)-ethylamino]-N,N-dimethylacetamide
CID 43588516
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
2-[(3-amino-2-phenylpropyl)-methylamino]acetamide
CID 43532171
3-[(3-amino-2-phenylpropyl)-methylamino]-N-methylpropanamide
CID 106914853
2-phenyl-3-tritiooxypropan-1-amine
CID 162491169
2-phenylbutane-1,4-diamine
CID 16770348
N-(3-bromo-2-phenylpropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870804

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol (CID 61242461) is 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol is NCC(CN(CCO)CCO)c1ccccc1.
What is the InChIKey of 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is AJRJMEVYHQZEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c14-10-13(12-4-2-1-3-5-12)11-15(6-8-16)7-9-17/h1-5,13,16-17H,6-11,14H2.
What are the key properties of 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-phenylpropyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 61242461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).