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

C18H21NO2 — CID 784312

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C18H21NO2/c1-20-17-9-6-13(10-18(17)21-2)12-19-16-8-7-14-4-3-5-15(14)11-16/h6-11,19H,3-5,12H2,1-2H3
InChIKeyUWHNNZLUWCQCKA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.80
Rot. Bonds5

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

N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 784312) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID784312
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C18H21NO2/c1-20-17-9-6-13(10-18(17)21-2)12-19-16-8-7-14-4-3-5-15(14)11-16/h6-11,19H,3-5,12H2,1-2H3
InChIKeyUWHNNZLUWCQCKA-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine (CID 784312) is N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is COc1ccc(CNc2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is UWHNNZLUWCQCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-17-9-6-13(10-18(17)21-2)12-19-16-8-7-14-4-3-5-15(14)11-16/h6-11,19H,3-5,12H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine?
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 283.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).