2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine

C20H25N — CID 82796504

IUPAC2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine
SMILESCC(C)c1ccc(NC2c3ccccc3CC2(C)C)cc1
InChIInChI=1S/C20H25N/c1-14(2)15-9-11-17(12-10-15)21-19-18-8-6-5-7-16(18)13-20(19,3)4/h5-12,14,19,21H,13H2,1-4H3
InChIKeyAORDWJCMXUNIIE-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.55
Rot. Bonds3

About 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine

2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine (PubChem CID 82796504) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine
PubChem CID82796504
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine
SMILESCC(C)c1ccc(NC2c3ccccc3CC2(C)C)cc1
InChIInChI=1S/C20H25N/c1-14(2)15-9-11-17(12-10-15)21-19-18-8-6-5-7-16(18)13-20(19,3)4/h5-12,14,19,21H,13H2,1-4H3
InChIKeyAORDWJCMXUNIIE-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine (CID 82796504) is 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine is CC(C)c1ccc(NC2c3ccccc3CC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine?
The InChIKey is AORDWJCMXUNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-14(2)15-9-11-17(12-10-15)21-19-18-8-6-5-7-16(18)13-20(19,3)4/h5-12,14,19,21H,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine has a molecular weight of 279.43 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-propan-2-ylphenyl)-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82796504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).