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

C14H21NO3 — CID 43207308

IUPAC4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
SMILESC=COCCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-18-9-5-8-15-11(2)12-6-7-13(16)14(10-12)17-3/h4,6-7,10-11,15-16H,1,5,8-9H2,2-3H3
InChIKeyRPRGOEMMNQWESU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.60
Rot. Bonds8

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

4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol (PubChem CID 43207308) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
PubChem CID43207308
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
SMILESC=COCCCNC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H21NO3/c1-4-18-9-5-8-15-11(2)12-6-7-13(16)14(10-12)17-3/h4,6-7,10-11,15-16H,1,5,8-9H2,2-3H3
InChIKeyRPRGOEMMNQWESU-UHFFFAOYSA-N
XLogP2.60
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
CID 115516886
3-ethenoxy-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 43207255
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-ethenoxypropan-1-amine
CID 43207293
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-ethenoxypropan-1-amine
CID 43207354
3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 43207324
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
CID 82714303

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol (CID 43207308) is 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol is C=COCCCNC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol?
The InChIKey is RPRGOEMMNQWESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-9-5-8-15-11(2)12-6-7-13(16)14(10-12)17-3/h4,6-7,10-11,15-16H,1,5,8-9H2,2-3H3.
What are the key properties of 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol?
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol has a molecular weight of 251.33 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 43207308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).