4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol

C17H21NO3 — CID 67671907

IUPAC4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol
SMILESCC(Cc1ccccc1)N(CCO)c1ccc(O)c(O)c1
InChIInChI=1S/C17H21NO3/c1-13(11-14-5-3-2-4-6-14)18(9-10-19)15-7-8-16(20)17(21)12-15/h2-8,12-13,19-21H,9-11H2,1H3
InChIKeySYQVRYWBJOUAKJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.53
Rot. Bonds6

About 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol

4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol (PubChem CID 67671907) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol
PubChem CID67671907
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol
SMILESCC(Cc1ccccc1)N(CCO)c1ccc(O)c(O)c1
InChIInChI=1S/C17H21NO3/c1-13(11-14-5-3-2-4-6-14)18(9-10-19)15-7-8-16(20)17(21)12-15/h2-8,12-13,19-21H,9-11H2,1H3
InChIKeySYQVRYWBJOUAKJ-UHFFFAOYSA-N
XLogP2.53
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[N-(1-phenylpentan-2-yl)anilino]ethanol
CID 67671910
2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol
CID 67672789
4-[2-hydroxy-2-(N-propylanilino)ethyl]benzene-1,2-diol
CID 70470813
2-[1-phenylpropan-2-yl(prop-2-ynyl)amino]ethanol
CID 76605629
2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
CID 67671911
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
N-benzyl-3,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 103955560
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
2-[N-[1-(4-hydroxyphenyl)propan-2-yl]anilino]acetic acid
CID 115496177
(2S)-2-amino-N-benzyl-3-(3,4-dihydroxyphenyl)-N-(2-hydroxyethyl)propanamide
CID 113226323

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol?
The IUPAC name of 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol (CID 67671907) is 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol.
What is the SMILES notation for 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol?
The canonical SMILES for 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol is CC(Cc1ccccc1)N(CCO)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol?
The InChIKey is SYQVRYWBJOUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(11-14-5-3-2-4-6-14)18(9-10-19)15-7-8-16(20)17(21)12-15/h2-8,12-13,19-21H,9-11H2,1H3.
What are the key properties of 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol?
4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol has a molecular weight of 287.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol is sourced from PubChem (CID 67671907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).