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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(4-methylsulfanylphenyl)-1,3-dihydroinden-1-amine
CID 82820959
N-(3-fluoro-5-methylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82815052
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-5-methylpyridin-3-amine
CID 107584918
5-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methoxyphenol
CID 82798081
N-(2-bromophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821533
N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821346
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydroinden-1-amine
CID 82814846
2-chloro-N-(2,2-dimethyl-1,3-dihydroinden-1-yl)pyridin-3-amine
CID 82820871
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531800
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]butan-1-ol
CID 83177492
N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82796846
[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]phenyl]methanol
CID 82821252

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).