2-(2-tert-butylphenoxy)-N-ethylethanamine

C14H23NO — CID 29015338

IUPAC2-(2-tert-butylphenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-5-15-10-11-16-13-9-7-6-8-12(13)14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyCTEJXVYTFNBYKC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-ethylethanamine

2-(2-tert-butylphenoxy)-N-ethylethanamine (PubChem CID 29015338) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-ethylethanamine
PubChem CID29015338
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2-tert-butylphenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-5-15-10-11-16-13-9-7-6-8-12(13)14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyCTEJXVYTFNBYKC-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
CID 39259210
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
N-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2280746
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764
1-tert-butyl-2-heptoxybenzene
CID 64763672
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
N-[2-(2-tert-butylphenoxy)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119780509

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-ethylethanamine?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-ethylethanamine (CID 29015338) is 2-(2-tert-butylphenoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-ethylethanamine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-ethylethanamine is CCNCCOc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-ethylethanamine?
The InChIKey is CTEJXVYTFNBYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-10-11-16-13-9-7-6-8-12(13)14(2,3)4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 2-(2-tert-butylphenoxy)-N-ethylethanamine?
2-(2-tert-butylphenoxy)-N-ethylethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-ethylethanamine is sourced from PubChem (CID 29015338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).