3-[3-(2-ethylphenoxy)propoxy]propan-1-amine

C14H23NO2 — CID 82353346

IUPAC3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
SMILESCCc1ccccc1OCCCOCCCN
InChIInChI=1S/C14H23NO2/c1-2-13-7-3-4-8-14(13)17-12-6-11-16-10-5-9-15/h3-4,7-8H,2,5-6,9-12,15H2,1H3
InChIKeyPWCYZYYXPQBNPX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds9

About 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine

3-[3-(2-ethylphenoxy)propoxy]propan-1-amine (PubChem CID 82353346) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
PubChem CID82353346
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
SMILESCCc1ccccc1OCCCOCCCN
InChIInChI=1S/C14H23NO2/c1-2-13-7-3-4-8-14(13)17-12-6-11-16-10-5-9-15/h3-4,7-8H,2,5-6,9-12,15H2,1H3
InChIKeyPWCYZYYXPQBNPX-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 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 ≤ 52.38
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

3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
2-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
3-[3-(2-chlorophenoxy)propoxy]propan-1-amine
CID 82353356
4-(2-ethylphenoxy)butanamide
CID 82040636
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
1-ethyl-2-heptoxybenzene
CID 22723794
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine?
The IUPAC name of 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine (CID 82353346) is 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine.
What is the SMILES notation for 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine?
The canonical SMILES for 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine is CCc1ccccc1OCCCOCCCN.
What is the InChIKey of 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine?
The InChIKey is PWCYZYYXPQBNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-13-7-3-4-8-14(13)17-12-6-11-16-10-5-9-15/h3-4,7-8H,2,5-6,9-12,15H2,1H3.
What are the key properties of 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine?
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylphenoxy)propoxy]propan-1-amine is sourced from PubChem (CID 82353346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).