5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol

C17H19NO3 — CID 80562890

IUPAC5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCc3cc(N)ccc32)c1
InChIInChI=1S/C17H19NO3/c1-20-13-4-6-16(21-2)15(10-13)17(19)8-7-11-9-12(18)3-5-14(11)17/h3-6,9-10,19H,7-8,18H2,1-2H3
InChIKeyDPTNLFZPPNWMIG-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.47
Rot. Bonds3

About 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol

5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol (PubChem CID 80562890) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol
PubChem CID80562890
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(OC)c(C2(O)CCc3cc(N)ccc32)c1
InChIInChI=1S/C17H19NO3/c1-20-13-4-6-16(21-2)15(10-13)17(19)8-7-11-9-12(18)3-5-14(11)17/h3-6,9-10,19H,7-8,18H2,1-2H3
InChIKeyDPTNLFZPPNWMIG-UHFFFAOYSA-N
XLogP2.47
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
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 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol (CID 80562890) is 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol is COc1ccc(OC)c(C2(O)CCc3cc(N)ccc32)c1.
What is the InChIKey of 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is DPTNLFZPPNWMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-13-4-6-16(21-2)15(10-13)17(19)8-7-11-9-12(18)3-5-14(11)17/h3-6,9-10,19H,7-8,18H2,1-2H3.
What are the key properties of 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol?
5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 285.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,5-dimethoxyphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).