N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine

C14H23NO2 — CID 82353114

IUPACN-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine
SMILESCCNCCOCCCOc1ccc(C)cc1
InChIInChI=1S/C14H23NO2/c1-3-15-9-12-16-10-4-11-17-14-7-5-13(2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyJTQMWCWESXNZQP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.39
Rot. Bonds9

About N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine

N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine (PubChem CID 82353114) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine
PubChem CID82353114
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine
SMILESCCNCCOCCCOc1ccc(C)cc1
InChIInChI=1S/C14H23NO2/c1-3-15-9-12-16-10-4-11-17-14-7-5-13(2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyJTQMWCWESXNZQP-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.39
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

2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
N-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869793
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
CID 82353109
N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine?
The IUPAC name of N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine (CID 82353114) is N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine is CCNCCOCCCOc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine?
The InChIKey is JTQMWCWESXNZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-15-9-12-16-10-4-11-17-14-7-5-13(2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine?
N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine is sourced from PubChem (CID 82353114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).