2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C18H21N — CID 46230930

IUPAC2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(CC2Cc3ccccc3C2N)c(C)c1
InChIInChI=1S/C18H21N/c1-12-7-8-14(13(2)9-12)10-16-11-15-5-3-4-6-17(15)18(16)19/h3-9,16,18H,10-11,19H2,1-2H3
InChIKeyJJXNDADNDFDRKV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.72
Rot. Bonds2

About 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 46230930) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID46230930
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc(CC2Cc3ccccc3C2N)c(C)c1
InChIInChI=1S/C18H21N/c1-12-7-8-14(13(2)9-12)10-16-11-15-5-3-4-6-17(15)18(16)19/h3-9,16,18H,10-11,19H2,1-2H3
InChIKeyJJXNDADNDFDRKV-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.72
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)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 46230930) is 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is Cc1ccc(CC2Cc3ccccc3C2N)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JJXNDADNDFDRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12-7-8-14(13(2)9-12)10-16-11-15-5-3-4-6-17(15)18(16)19/h3-9,16,18H,10-11,19H2,1-2H3.
What are the key properties of 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 46230930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).