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

C18H21NO — CID 46230979

IUPAC2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CC2Cc3ccccc3C2N)cc1C
InChIInChI=1S/C18H21NO/c1-12-9-13(7-8-17(12)20-2)10-15-11-14-5-3-4-6-16(14)18(15)19/h3-9,15,18H,10-11,19H2,1-2H3
InChIKeyUITJTUOHZXCXOK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.42
Rot. Bonds3

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

2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 46230979) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID46230979
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CC2Cc3ccccc3C2N)cc1C
InChIInChI=1S/C18H21NO/c1-12-9-13(7-8-17(12)20-2)10-15-11-14-5-3-4-6-16(14)18(15)19/h3-9,15,18H,10-11,19H2,1-2H3
InChIKeyUITJTUOHZXCXOK-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 46230979) is 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc(CC2Cc3ccccc3C2N)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UITJTUOHZXCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-9-13(7-8-17(12)20-2)10-15-11-14-5-3-4-6-16(14)18(15)19/h3-9,15,18H,10-11,19H2,1-2H3.
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 46230979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).