6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C19H22ClN — CID 83065439

IUPAC6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCc1ccc(NC2c3cc(Cl)ccc3CC2(C)C)c(C)c1
InChIInChI=1S/C19H22ClN/c1-12-5-8-17(13(2)9-12)21-18-16-10-15(20)7-6-14(16)11-19(18,3)4/h5-10,18,21H,11H2,1-4H3
InChIKeyXJJFTLJRTFAKJF-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.69
Rot. Bonds2

About 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83065439) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83065439
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCc1ccc(NC2c3cc(Cl)ccc3CC2(C)C)c(C)c1
InChIInChI=1S/C19H22ClN/c1-12-5-8-17(13(2)9-12)21-18-16-10-15(20)7-6-14(16)11-19(18,3)4/h5-10,18,21H,11H2,1-4H3
InChIKeyXJJFTLJRTFAKJF-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 107631566
6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066103
N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065922
N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821346
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531857
N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 104776129
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine
CID 83067690
6-chloro-N-(dicyclopropylmethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066943
6-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066115
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113464540
2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol
CID 83066805
3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
CID 83067295

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83065439) is 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is Cc1ccc(NC2c3cc(Cl)ccc3CC2(C)C)c(C)c1.
What is the InChIKey of 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is XJJFTLJRTFAKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-12-5-8-17(13(2)9-12)21-18-16-10-15(20)7-6-14(16)11-19(18,3)4/h5-10,18,21H,11H2,1-4H3.
What are the key properties of 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 299.85 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83065439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).