3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol

C17H19NO2 — CID 107089821

IUPAC3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C)cc1C1(O)CC(N)c2ccccc21
InChIInChI=1S/C17H19NO2/c1-11-7-8-16(20-2)14(9-11)17(19)10-15(18)12-5-3-4-6-13(12)17/h3-9,15,19H,10,18H2,1-2H3
InChIKeyPNEUPXJPIYPLAW-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.64
Rot. Bonds2

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

3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 107089821) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol
PubChem CID107089821
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C)cc1C1(O)CC(N)c2ccccc21
InChIInChI=1S/C17H19NO2/c1-11-7-8-16(20-2)14(9-11)17(19)10-15(18)12-5-3-4-6-13(12)17/h3-9,15,19H,10,18H2,1-2H3
InChIKeyPNEUPXJPIYPLAW-UHFFFAOYSA-N
XLogP2.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol (CID 107089821) is 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol is COc1ccc(C)cc1C1(O)CC(N)c2ccccc21.
What is the InChIKey of 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is PNEUPXJPIYPLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-8-16(20-2)14(9-11)17(19)10-15(18)12-5-3-4-6-13(12)17/h3-9,15,19H,10,18H2,1-2H3.
What are the key properties of 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol?
3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 269.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).