4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol

C19H25NO4 — CID 71345290

IUPAC4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol
SMILESCCc1cc(C(CCN)c2cc(CC)c(O)cc2O)c(O)cc1O
InChIInChI=1S/C19H25NO4/c1-3-11-7-14(18(23)9-16(11)21)13(5-6-20)15-8-12(4-2)17(22)10-19(15)24/h7-10,13,21-24H,3-6,20H2,1-2H3
InChIKeyAMDBLTWJBXJPHC-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.11
Rot. Bonds6

About 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol

4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol (PubChem CID 71345290) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol
PubChem CID71345290
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol
SMILESCCc1cc(C(CCN)c2cc(CC)c(O)cc2O)c(O)cc1O
InChIInChI=1S/C19H25NO4/c1-3-11-7-14(18(23)9-16(11)21)13(5-6-20)15-8-12(4-2)17(22)10-19(15)24/h7-10,13,21-24H,3-6,20H2,1-2H3
InChIKeyAMDBLTWJBXJPHC-UHFFFAOYSA-N
XLogP3.11
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-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

4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
CID 84774316
3-amino-3-(5-ethyl-2,4-dihydroxyphenyl)propanoic acid
CID 84790025
4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139659266
4-[1-[2,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]butyl]-6-[(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139708055
4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
CID 84765393
2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117300050
4-chloro-6-[1-(5-chloro-2,4-dihydroxyphenyl)butyl]benzene-1,3-diol
CID 22925962
2-ethyl-4-(1-hydroxyethyl)-5-methylphenol
CID 117278450
2-[(1R)-1,3-diaminopropyl]-6-ethylphenol
CID 171257230
4-amino-2-ethyl-5-methylphenol
CID 105429592
2-(4-ethoxyphenyl)-2-(5-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87187255
2-(4-aminobutan-2-yl)-6-ethylphenol
CID 117284201

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol?
The IUPAC name of 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol (CID 71345290) is 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol?
The canonical SMILES for 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol is CCc1cc(C(CCN)c2cc(CC)c(O)cc2O)c(O)cc1O.
What is the InChIKey of 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol?
The InChIKey is AMDBLTWJBXJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-3-11-7-14(18(23)9-16(11)21)13(5-6-20)15-8-12(4-2)17(22)10-19(15)24/h7-10,13,21-24H,3-6,20H2,1-2H3.
What are the key properties of 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol?
4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol has a molecular weight of 331.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol is sourced from PubChem (CID 71345290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).