N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine

C17H29NO2 — CID 62573018

IUPACN-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
SMILESCCOCCNCCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-19-11-9-18-10-12-20-16-8-7-14(2)13-15(16)17(3,4)5/h7-8,13,18H,6,9-12H2,1-5H3
InChIKeyCQIRYOXAOUPRLT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.30
Rot. Bonds8

About N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine

N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine (PubChem CID 62573018) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
PubChem CID62573018
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
SMILESCCOCCNCCOc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-19-11-9-18-10-12-20-16-8-7-14(2)13-15(16)17(3,4)5/h7-8,13,18H,6,9-12H2,1-5H3
InChIKeyCQIRYOXAOUPRLT-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-tert-butyl-4-methylphenoxy)-N-propylpropan-1-amine
CID 29016016
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]-2-methylpropan-2-amine;hydrochloride
CID 2866024
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]pentan-2-amine
CID 63505239
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
2-[(2-tert-butyl-4-methylphenoxy)methyl]-N-ethylprop-2-en-1-amine
CID 103066809
3-(2-tert-butyl-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 2300142
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
2-ethoxy-N-[2-(2,3,5-trimethylphenoxy)ethyl]ethanamine
CID 62598558
2-tert-butyl-1-but-3-ynoxy-4-methylbenzene
CID 63656034
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine?
The IUPAC name of N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine (CID 62573018) is N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine?
The canonical SMILES for N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine is CCOCCNCCOc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine?
The InChIKey is CQIRYOXAOUPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-19-11-9-18-10-12-20-16-8-7-14(2)13-15(16)17(3,4)5/h7-8,13,18H,6,9-12H2,1-5H3.
What are the key properties of N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine?
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine is sourced from PubChem (CID 62573018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).