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

C18H21NO2 — CID 46230976

IUPAC2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CC2Cc3ccccc3C2N)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-15-8-7-13(17(11-15)21-2)10-14-9-12-5-3-4-6-16(12)18(14)19/h3-8,11,14,18H,9-10,19H2,1-2H3
InChIKeyHBQQZAWCHCOPEA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.12
Rot. Bonds4

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

2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 46230976) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID46230976
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CC2Cc3ccccc3C2N)c(OC)c1
InChIInChI=1S/C18H21NO2/c1-20-15-8-7-13(17(11-15)21-2)10-14-9-12-5-3-4-6-16(12)18(14)19/h3-8,11,14,18H,9-10,19H2,1-2H3
InChIKeyHBQQZAWCHCOPEA-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 46230976) is 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc(CC2Cc3ccccc3C2N)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HBQQZAWCHCOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-15-8-7-13(17(11-15)21-2)10-14-9-12-5-3-4-6-16(12)18(14)19/h3-8,11,14,18H,9-10,19H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 46230976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).