5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

C17H19NO — CID 107682898

IUPAC5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(COc2ccc3c(c2)CCC3N)c1
InChIInChI=1S/C17H19NO/c1-12-3-2-4-13(9-12)11-19-15-6-7-16-14(10-15)5-8-17(16)18/h2-4,6-7,9-10,17H,5,8,11,18H2,1H3
InChIKeyAJXFBFGALLMYGI-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.52
Rot. Bonds3

About 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107682898) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107682898
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(COc2ccc3c(c2)CCC3N)c1
InChIInChI=1S/C17H19NO/c1-12-3-2-4-13(9-12)11-19-15-6-7-16-14(10-15)5-8-17(16)18/h2-4,6-7,9-10,17H,5,8,11,18H2,1H3
InChIKeyAJXFBFGALLMYGI-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 107682898) is 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is Cc1cccc(COc2ccc3c(c2)CCC3N)c1.
What is the InChIKey of 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AJXFBFGALLMYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-3-2-4-13(9-12)11-19-15-6-7-16-14(10-15)5-8-17(16)18/h2-4,6-7,9-10,17H,5,8,11,18H2,1H3.
What are the key properties of 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 253.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107682898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).