N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine

C17H29NO2 — CID 62571642

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-5-19-13-8-11-18-12-14-20-16-10-7-6-9-15(16)17(2,3)4/h6-7,9-10,18H,5,8,11-14H2,1-4H3
InChIKeyOKHPEQMIPXQFKN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.38
Rot. Bonds9

About N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine

N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine (PubChem CID 62571642) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
PubChem CID62571642
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCCOc1ccccc1C(C)(C)C
InChIInChI=1S/C17H29NO2/c1-5-19-13-8-11-18-12-14-20-16-10-7-6-9-15(16)17(2,3)4/h6-7,9-10,18H,5,8,11-14H2,1-4H3
InChIKeyOKHPEQMIPXQFKN-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]butan-1-amine
CID 2280746
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
2-[2-(2-tert-butylphenoxy)ethylamino]ethanol
CID 39259210
1-[2-(2-tert-butylphenoxy)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111807659
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802101
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-2-ethoxyethanamine
CID 62573018
3-ethoxy-N-(2-quinolin-8-yloxyethyl)propan-1-amine
CID 62598028
1-tert-butyl-2-heptoxybenzene
CID 64763672
N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine (CID 62571642) is N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine is CCOCCCNCCOc1ccccc1C(C)(C)C.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine?
The InChIKey is OKHPEQMIPXQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-19-13-8-11-18-12-14-20-16-10-7-6-9-15(16)17(2,3)4/h6-7,9-10,18H,5,8,11-14H2,1-4H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine?
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 62571642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).