2-[1-aminoethyl(2-phenylethyl)amino]ethanol

C12H20N2O — CID 174769140

IUPAC2-[1-aminoethyl(2-phenylethyl)amino]ethanol
SMILESCC(N)N(CCO)CCc1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(13)14(9-10-15)8-7-12-5-3-2-4-6-12/h2-6,11,15H,7-10,13H2,1H3
InChIKeyCMHILWZBPOSELJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.83
Rot. Bonds6

About 2-[1-aminoethyl(2-phenylethyl)amino]ethanol

2-[1-aminoethyl(2-phenylethyl)amino]ethanol (PubChem CID 174769140) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[1-aminoethyl(2-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-aminoethyl(2-phenylethyl)amino]ethanol
PubChem CID174769140
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[1-aminoethyl(2-phenylethyl)amino]ethanol
SMILESCC(N)N(CCO)CCc1ccccc1
InChIInChI=1S/C12H20N2O/c1-11(13)14(9-10-15)8-7-12-5-3-2-4-6-12/h2-6,11,15H,7-10,13H2,1H3
InChIKeyCMHILWZBPOSELJ-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
2-aminopropan-1-ol;2-phenylethanol
CID 174837900
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
2-[1-aminopropan-2-yl(benzyl)amino]ethanol
CID 62116860
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
N-(2-hydroxyethyl)-N-(2-phenylethyl)formamide
CID 178115914
N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
CID 77038150
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
CID 54855366
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110
butane-2,3-diol;2-phenylethanol
CID 175116943
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine
CID 65482929

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminoethyl(2-phenylethyl)amino]ethanol?
The IUPAC name of 2-[1-aminoethyl(2-phenylethyl)amino]ethanol (CID 174769140) is 2-[1-aminoethyl(2-phenylethyl)amino]ethanol.
What is the SMILES notation for 2-[1-aminoethyl(2-phenylethyl)amino]ethanol?
The canonical SMILES for 2-[1-aminoethyl(2-phenylethyl)amino]ethanol is CC(N)N(CCO)CCc1ccccc1.
What is the InChIKey of 2-[1-aminoethyl(2-phenylethyl)amino]ethanol?
The InChIKey is CMHILWZBPOSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(13)14(9-10-15)8-7-12-5-3-2-4-6-12/h2-6,11,15H,7-10,13H2,1H3.
What are the key properties of 2-[1-aminoethyl(2-phenylethyl)amino]ethanol?
2-[1-aminoethyl(2-phenylethyl)amino]ethanol has a molecular weight of 208.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminoethyl(2-phenylethyl)amino]ethanol is sourced from PubChem (CID 174769140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).