2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine

C17H29NO2 — CID 62572262

IUPAC2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-4-5-11-19-12-9-18-10-13-20-17-8-6-7-16(14-17)15(2)3/h6-8,14-15,18H,4-5,9-13H2,1-3H3
InChIKeyPJSHATVPBHVTCK-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.60
Rot. Bonds11

About 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine

2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine (PubChem CID 62572262) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
PubChem CID62572262
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1cccc(C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-4-5-11-19-12-9-18-10-13-20-17-8-6-7-16(14-17)15(2)3/h6-8,14-15,18H,4-5,9-13H2,1-3H3
InChIKeyPJSHATVPBHVTCK-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine 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-methyl-2-[3-(3-propan-2-ylphenoxy)propoxy]ethanamine
CID 82353979
3-methoxy-N-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2280964
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
butyl-[2-[2-(3-propan-2-ylphenoxy)ethoxy]ethyl]azanium
CID 2280743
(1S)-1-(3-butoxyphenyl)ethanol
CID 78933868
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
N-[2-[2-(3-ethoxyphenoxy)ethoxy]ethyl]butan-1-amine
CID 2299444
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-[3-(3-propan-2-ylphenoxy)propoxy]butan-2-amine
CID 82353726
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine (CID 62572262) is 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine is CCCCOCCNCCOc1cccc(C(C)C)c1.
What is the InChIKey of 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
The InChIKey is PJSHATVPBHVTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-5-11-19-12-9-18-10-13-20-17-8-6-7-16(14-17)15(2)3/h6-8,14-15,18H,4-5,9-13H2,1-3H3.
What are the key properties of 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine?
2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(3-propan-2-ylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 62572262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).