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

C19H23NO2 — CID 119164773

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCOc1ccc(OC)c(C(C)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C19H23NO2/c1-13(18-12-17(21-2)8-9-19(18)22-3)20-16-10-14-6-4-5-7-15(14)11-16/h4-9,12-13,16,20H,10-11H2,1-3H3
InChIKeyQAQVOMCVYKJHOE-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.52
Rot. Bonds5

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

N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 119164773) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID119164773
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
SMILESCOc1ccc(OC)c(C(C)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C19H23NO2/c1-13(18-12-17(21-2)8-9-19(18)22-3)20-16-10-14-6-4-5-7-15(14)11-16/h4-9,12-13,16,20H,10-11H2,1-3H3
InChIKeyQAQVOMCVYKJHOE-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[chloro-(2,5-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893752
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459133
N-[1-(2-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 103779625
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75471469
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786580
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81367851
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902739
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine (CID 119164773) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is COc1ccc(OC)c(C(C)NC2Cc3ccccc3C2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QAQVOMCVYKJHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13(18-12-17(21-2)8-9-19(18)22-3)20-16-10-14-6-4-5-7-15(14)11-16/h4-9,12-13,16,20H,10-11H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 297.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 119164773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).