N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine

C17H27NO2 — CID 2581106

IUPACN-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCCOc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-5-6-18-7-8-19-9-10-20-17-12-15(4)11-16(13-17)14(2)3/h5,11-14,18H,1,6-10H2,2-4H3
InChIKeyAGIUETKWPZTUTR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds10

About N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine

N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine (PubChem CID 2581106) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine
PubChem CID2581106
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCCOc1cc(C)cc(C(C)C)c1
InChIInChI=1S/C17H27NO2/c1-5-6-18-7-8-19-9-10-20-17-12-15(4)11-16(13-17)14(2)3/h5,11-14,18H,1,6-10H2,2-4H3
InChIKeyAGIUETKWPZTUTR-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine (CID 2581106) is N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine is C=CCNCCOCCOc1cc(C)cc(C(C)C)c1.
What is the InChIKey of N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine?
The InChIKey is AGIUETKWPZTUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-6-18-7-8-19-9-10-20-17-12-15(4)11-16(13-17)14(2)3/h5,11-14,18H,1,6-10H2,2-4H3.
What are the key properties of N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine?
N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 2581106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).