4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol

C19H22N2O2 — CID 141356064

IUPAC4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol
SMILESCOc1cc(C(C)C)ccc1C1(O)C=c2ccc(N)c(N)c2=C1
InChIInChI=1S/C19H22N2O2/c1-11(2)12-4-6-15(17(8-12)23-3)19(22)9-13-5-7-16(20)18(21)14(13)10-19/h4-11,22H,20-21H2,1-3H3
InChIKeyJKJDMPUCEBUICI-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.45
Rot. Bonds3

About 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol

4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol (PubChem CID 141356064) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol.

Molecular Properties

Compound Name4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol
PubChem CID141356064
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol
SMILESCOc1cc(C(C)C)ccc1C1(O)C=c2ccc(N)c(N)c2=C1
InChIInChI=1S/C19H22N2O2/c1-11(2)12-4-6-15(17(8-12)23-3)19(22)9-13-5-7-16(20)18(21)14(13)10-19/h4-11,22H,20-21H2,1-3H3
InChIKeyJKJDMPUCEBUICI-UHFFFAOYSA-N
XLogP1.45
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol?
The IUPAC name of 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol (CID 141356064) is 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol.
What is the SMILES notation for 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol?
The canonical SMILES for 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol is COc1cc(C(C)C)ccc1C1(O)C=c2ccc(N)c(N)c2=C1.
What is the InChIKey of 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol?
The InChIKey is JKJDMPUCEBUICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-11(2)12-4-6-15(17(8-12)23-3)19(22)9-13-5-7-16(20)18(21)14(13)10-19/h4-11,22H,20-21H2,1-3H3.
What are the key properties of 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol?
4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol has a molecular weight of 310.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-(2-methoxy-4-propan-2-ylphenyl)inden-2-ol is sourced from PubChem (CID 141356064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).