4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol

C14H23NO3 — CID 43196184

IUPAC4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
SMILESCCOCCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11(2)12-6-7-13(16)14(10-12)17-3/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3
InChIKeyLLNJGXKAVZNYDK-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.48
Rot. Bonds8

About 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol

4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol (PubChem CID 43196184) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
PubChem CID43196184
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
SMILESCCOCCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11(2)12-6-7-13(16)14(10-12)17-3/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3
InChIKeyLLNJGXKAVZNYDK-UHFFFAOYSA-N
XLogP2.48
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
CID 115516886
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
N-(2-ethoxyethyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82994797
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylpropoxy)propan-1-amine
CID 43205840
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol (CID 43196184) is 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol is CCOCCCNC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol?
The InChIKey is LLNJGXKAVZNYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11(2)12-6-7-13(16)14(10-12)17-3/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol?
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol has a molecular weight of 253.34 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 43196184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).