5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine

C17H19N — CID 114081049

IUPAC5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(-c2ccc3c(c2)CCC3N)cc1C
InChIInChI=1S/C17H19N/c1-11-3-4-13(9-12(11)2)14-5-7-16-15(10-14)6-8-17(16)18/h3-5,7,9-10,17H,6,8,18H2,1-2H3
InChIKeyAPPUJMCCCCXDBC-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.92
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine

5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114081049) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114081049
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(-c2ccc3c(c2)CCC3N)cc1C
InChIInChI=1S/C17H19N/c1-11-3-4-13(9-12(11)2)14-5-7-16-15(10-14)6-8-17(16)18/h3-5,7,9-10,17H,6,8,18H2,1-2H3
InChIKeyAPPUJMCCCCXDBC-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 114081049) is 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine is Cc1ccc(-c2ccc3c(c2)CCC3N)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is APPUJMCCCCXDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-11-3-4-13(9-12(11)2)14-5-7-16-15(10-14)6-8-17(16)18/h3-5,7,9-10,17H,6,8,18H2,1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine?
5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 237.35 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114081049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).