2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol

C13H22N2O2 — CID 113475785

IUPAC2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
SMILESCC(N)c1ccc(N(C)C(C)(C)CO)cc1O
InChIInChI=1S/C13H22N2O2/c1-9(14)11-6-5-10(7-12(11)17)15(4)13(2,3)8-16/h5-7,9,16-17H,8,14H2,1-4H3
InChIKeyRQLZTZSKQUUCEJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds4

About 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol

2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol (PubChem CID 113475785) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
PubChem CID113475785
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol
SMILESCC(N)c1ccc(N(C)C(C)(C)CO)cc1O
InChIInChI=1S/C13H22N2O2/c1-9(14)11-6-5-10(7-12(11)17)15(4)13(2,3)8-16/h5-7,9,16-17H,8,14H2,1-4H3
InChIKeyRQLZTZSKQUUCEJ-UHFFFAOYSA-N
XLogP1.62
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
2-(1-aminoethyl)-5-[cyclobutyl(2-hydroxyethyl)amino]phenol
CID 102863464
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
2-(1-aminoethyl)-5-(2-fluoro-N-methylanilino)phenol
CID 79603983
2-(1-aminoethyl)-5-[3-(diethylamino)propyl-ethylamino]phenol
CID 102994161
4-[[4-(1-aminoethyl)-3-hydroxy-N-methylanilino]methyl]oxan-4-ol
CID 114950022
2-[[4-[(1R)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863980
2-(1-aminoethyl)-5-[methyl(oxolan-2-ylmethyl)amino]phenol
CID 79603547
2-methyl-2-(N-methyl-4-phenylanilino)propan-1-ol
CID 115133254
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-methylamino]-2-methylpropan-1-ol
CID 104863989

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol?
The IUPAC name of 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol (CID 113475785) is 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol is CC(N)c1ccc(N(C)C(C)(C)CO)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol?
The InChIKey is RQLZTZSKQUUCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(14)11-6-5-10(7-12(11)17)15(4)13(2,3)8-16/h5-7,9,16-17H,8,14H2,1-4H3.
What are the key properties of 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol?
2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol has a molecular weight of 238.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]phenol is sourced from PubChem (CID 113475785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).