5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol

C15H25NO4 — CID 107707175

IUPAC5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
SMILESCOCCOCCCCNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H25NO4/c1-12(13-9-14(17)11-15(18)10-13)16-5-3-4-6-20-8-7-19-2/h9-12,16-18H,3-8H2,1-2H3
InChIKeyJNPWNGPUCARDSD-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.19
Rot. Bonds10

About 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol

5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol (PubChem CID 107707175) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
PubChem CID107707175
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
SMILESCOCCOCCCCNC(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H25NO4/c1-12(13-9-14(17)11-15(18)10-13)16-5-3-4-6-20-8-7-19-2/h9-12,16-18H,3-8H2,1-2H3
InChIKeyJNPWNGPUCARDSD-UHFFFAOYSA-N
XLogP2.19
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115879210
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103780222
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
N-[1-(furan-3-yl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113260923
2-[1-[4-(2-methoxyethoxy)butylamino]ethyl]-5-methylphenol
CID 104582144
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
3-(2-methoxyethoxy)-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43206900
4-(2-methoxyethoxy)-N-[1-(1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 115879211

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol (CID 107707175) is 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol is COCCOCCCCNC(C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol?
The InChIKey is JNPWNGPUCARDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-12(13-9-14(17)11-15(18)10-13)16-5-3-4-6-20-8-7-19-2/h9-12,16-18H,3-8H2,1-2H3.
What are the key properties of 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol?
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol has a molecular weight of 283.37 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107707175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).