2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol

C18H26N2O4 — CID 161456445

IUPAC2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol
SMILESCc1ccc(CCO)c(N)c1O.Cc1ccc(NCCO)cc1O
InChIInChI=1S/2C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11;1-6-2-3-7(4-5-11)8(10)9(6)12/h2-3,6,10-12H,4-5H2,1H3;2-3,11-12H,4-5,10H2,1H3
InChIKeyWBFHTZHGSDIPFM-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol

2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol (PubChem CID 161456445) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol.

Molecular Properties

Compound Name2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol
PubChem CID161456445
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol
SMILESCc1ccc(CCO)c(N)c1O.Cc1ccc(NCCO)cc1O
InChIInChI=1S/2C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11;1-6-2-3-7(4-5-11)8(10)9(6)12/h2-3,6,10-12H,4-5H2,1H3;2-3,11-12H,4-5,10H2,1H3
InChIKeyWBFHTZHGSDIPFM-UHFFFAOYSA-N
XLogP1.92
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 51.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxyethylamino)-2-methylphenol;hydrochloride
CID 172550087
2-[2-(4-amino-3-methylanilino)ethylamino]ethanol
CID 23104585
2-[4-amino-3-(2-methoxyethyl)anilino]ethanol
CID 57193962
N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide
CID 22406160
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
2,6-dibromo-4-[(3-hydroxy-4-methylanilino)methyl]phenol
CID 107741199
5-amino-2-ethyl-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699520
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
2-(4-amino-3-chloroanilino)ethanol
CID 54315994
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol?
The IUPAC name of 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol (CID 161456445) is 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol.
What is the SMILES notation for 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol?
The canonical SMILES for 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol is Cc1ccc(CCO)c(N)c1O.Cc1ccc(NCCO)cc1O.
What is the InChIKey of 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol?
The InChIKey is WBFHTZHGSDIPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11;1-6-2-3-7(4-5-11)8(10)9(6)12/h2-3,6,10-12H,4-5H2,1H3;2-3,11-12H,4-5,10H2,1H3.
What are the key properties of 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol?
2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol has a molecular weight of 334.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxyethyl)-6-methylphenol;5-(2-hydroxyethylamino)-2-methylphenol is sourced from PubChem (CID 161456445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).