2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine

C17H19N — CID 55120370

IUPAC2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine
SMILESCc1ccc(C2(N)Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C17H19N/c1-12-7-8-16(13(2)9-12)17(18)10-14-5-3-4-6-15(14)11-17/h3-9H,10-11,18H2,1-2H3
InChIKeyYGWGEQRQAKXMHP-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.26
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine

2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine (PubChem CID 55120370) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine
PubChem CID55120370
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine
SMILESCc1ccc(C2(N)Cc3ccccc3C2)c(C)c1
InChIInChI=1S/C17H19N/c1-12-7-8-16(13(2)9-12)17(18)10-14-5-3-4-6-15(14)11-17/h3-9H,10-11,18H2,1-2H3
InChIKeyYGWGEQRQAKXMHP-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine (CID 55120370) is 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine is Cc1ccc(C2(N)Cc3ccccc3C2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine?
The InChIKey is YGWGEQRQAKXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-7-8-16(13(2)9-12)17(18)10-14-5-3-4-6-15(14)11-17/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine?
2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine is sourced from PubChem (CID 55120370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).