4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

C19H23NO — CID 63089768

IUPAC4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCc3cc(C)cc(C)c3)cccc21
InChIInChI=1S/C19H23NO/c1-13-9-14(2)11-15(10-13)12-21-19-6-4-5-16-17(19)7-8-18(16)20-3/h4-6,9-11,18,20H,7-8,12H2,1-3H3
InChIKeyARXRJUKBDARKPS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.09
Rot. Bonds4

About 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63089768) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63089768
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCc3cc(C)cc(C)c3)cccc21
InChIInChI=1S/C19H23NO/c1-13-9-14(2)11-15(10-13)12-21-19-6-4-5-16-17(19)7-8-18(16)20-3/h4-6,9-11,18,20H,7-8,12H2,1-3H3
InChIKeyARXRJUKBDARKPS-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 63089768) is 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(OCc3cc(C)cc(C)c3)cccc21.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ARXRJUKBDARKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13-9-14(2)11-15(10-13)12-21-19-6-4-5-16-17(19)7-8-18(16)20-3/h4-6,9-11,18,20H,7-8,12H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).