2-[2-(2-tert-butylphenoxy)ethylamino]ethanol

C14H23NO2 — CID 39259210

IUPAC2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
SMILESCC(C)(C)c1ccccc1OCCNCCO
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-6-4-5-7-13(12)17-11-9-15-8-10-16/h4-7,15-16H,8-11H2,1-3H3
InChIKeyCWKDKSVIWCZOFB-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.94
Rot. Bonds6

About 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol

2-[2-(2-tert-butylphenoxy)ethylamino]ethanol (PubChem CID 39259210) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
PubChem CID39259210
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
SMILESCC(C)(C)c1ccccc1OCCNCCO
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-6-4-5-7-13(12)17-11-9-15-8-10-16/h4-7,15-16H,8-11H2,1-3H3
InChIKeyCWKDKSVIWCZOFB-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
N-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2280746
N-[2-(2-tert-butylphenoxy)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119780509
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
3-[[2-(2-tert-butylphenoxy)ethylamino]methyl]benzoic acid
CID 122031266
1-[2-(2-tert-butylphenoxy)ethyl]-2,3-dimethylguanidine
CID 111110189
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium
CID 2251057
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol?
The IUPAC name of 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol (CID 39259210) is 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol is CC(C)(C)c1ccccc1OCCNCCO.
What is the InChIKey of 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol?
The InChIKey is CWKDKSVIWCZOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)12-6-4-5-7-13(12)17-11-9-15-8-10-16/h4-7,15-16H,8-11H2,1-3H3.
What are the key properties of 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol?
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol has a molecular weight of 237.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tert-butylphenoxy)ethylamino]ethanol is sourced from PubChem (CID 39259210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).