2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol

C11H17NO4 — CID 146405993

IUPAC2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
SMILESCc1c(N)ccc(OCCO)c1OCCO
InChIInChI=1S/C11H17NO4/c1-8-9(12)2-3-10(15-6-4-13)11(8)16-7-5-14/h2-3,13-14H,4-7,12H2,1H3
InChIKeyIHXGNACPOFGMCN-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.32
Rot. Bonds6

About 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol

2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol (PubChem CID 146405993) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
PubChem CID146405993
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
SMILESCc1c(N)ccc(OCCO)c1OCCO
InChIInChI=1S/C11H17NO4/c1-8-9(12)2-3-10(15-6-4-13)11(8)16-7-5-14/h2-3,13-14H,4-7,12H2,1H3
InChIKeyIHXGNACPOFGMCN-UHFFFAOYSA-N
XLogP0.32
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2,6-dimethylphenoxy)ethanol
CID 62018329
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2-(5-aminoisoquinolin-8-yl)oxyethanol
CID 103139769
2-[2,4-diamino-5-(2-hydroxyethoxy)phenoxy]ethanol;2-methylbenzene-1,3-diol
CID 157050422
3-[2,4-diamino-3-(3-hydroxypropoxy)phenoxy]propan-1-ol;hydrochloride
CID 19834651
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
3-[3-(dimethylamino)propoxy]-2,4-dimethylaniline
CID 114524612
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
azane;2-(2,4-diaminophenoxy)ethanol;dihydrochloride
CID 175517081
3,6-bis(2-hydroxyethoxy)benzene-1,2-diol
CID 18513327
2-[(3-amino-6-methyl-2-pyridinyl)oxy]ethanol
CID 81133074

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol?
The IUPAC name of 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol (CID 146405993) is 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol.
What is the SMILES notation for 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol?
The canonical SMILES for 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol is Cc1c(N)ccc(OCCO)c1OCCO.
What is the InChIKey of 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol?
The InChIKey is IHXGNACPOFGMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-9(12)2-3-10(15-6-4-13)11(8)16-7-5-14/h2-3,13-14H,4-7,12H2,1H3.
What are the key properties of 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol?
2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol has a molecular weight of 227.26 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol is sourced from PubChem (CID 146405993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).