2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine

C17H29NO2 — CID 62582718

IUPAC2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(CCC)cc1
InChIInChI=1S/C17H29NO2/c1-3-5-13-19-14-11-18-12-15-20-17-9-7-16(6-4-2)8-10-17/h7-10,18H,3-6,11-15H2,1-2H3
InChIKeyRIEGBFVFCBARAE-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.42
Rot. Bonds12

About 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine

2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine (PubChem CID 62582718) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
PubChem CID62582718
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
SMILESCCCCOCCNCCOc1ccc(CCC)cc1
InChIInChI=1S/C17H29NO2/c1-3-5-13-19-14-11-18-12-15-20-17-9-7-16(6-4-2)8-10-17/h7-10,18H,3-6,11-15H2,1-2H3
InChIKeyRIEGBFVFCBARAE-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.42
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

N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
1-nonoxy-4-propylbenzene
CID 118632119
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364
2-butoxy-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 55092985
2-[3-[(4-butoxyphenyl)methylamino]propoxy]ethanol
CID 103992724
N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 71342969

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine (CID 62582718) is 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine is CCCCOCCNCCOc1ccc(CCC)cc1.
What is the InChIKey of 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine?
The InChIKey is RIEGBFVFCBARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-13-19-14-11-18-12-15-20-17-9-7-16(6-4-2)8-10-17/h7-10,18H,3-6,11-15H2,1-2H3.
What are the key properties of 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine?
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.42, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 62582718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).