5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

C18H21NO — CID 107682901

IUPAC5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(C)c1COc1ccc2c(c1)CCC2N
InChIInChI=1S/C18H21NO/c1-12-4-3-5-13(2)17(12)11-20-15-7-8-16-14(10-15)6-9-18(16)19/h3-5,7-8,10,18H,6,9,11,19H2,1-2H3
InChIKeyJVEZAKYVZNKBQG-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.83
Rot. Bonds3

About 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107682901) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107682901
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCc1cccc(C)c1COc1ccc2c(c1)CCC2N
InChIInChI=1S/C18H21NO/c1-12-4-3-5-13(2)17(12)11-20-15-7-8-16-14(10-15)6-9-18(16)19/h3-5,7-8,10,18H,6,9,11,19H2,1-2H3
InChIKeyJVEZAKYVZNKBQG-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-2,3-dihydro-1H-inden-1-amine
CID 3016741
trans-3-(o-tolyloxy)-2,3-dihydro-1H-inden-1-amine
CID 44560674
(6-Ethoxy-2-naphthyl)-2-aminopropane
CID 44590294
(6-Propoxy-2-naphthyl)-2-aminopropane
CID 44590295
2-(3,5-Dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 132191178
4-[(3-methylphenyl)methoxy]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 145950085
2-(2,4-Dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162315023
2-Cyclopentyl-1-(4-phenoxyphenyl)ethan-1-amine
CID 45253768
5-Methoxy-N-methyl-2,3-Dihydro-1H-inden-1-amine
CID 431987
2-Amino-5-methoxyindan
CID 12147687
cis-3-phenoxy-2,3-dihydro-1H-inden-1-amine
CID 44560576
(6-Butoxy-2-naphthyl)-2-aminopropane
CID 44590779

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 107682901) is 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is Cc1cccc(C)c1COc1ccc2c(c1)CCC2N.
What is the InChIKey of 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JVEZAKYVZNKBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12-4-3-5-13(2)17(12)11-20-15-7-8-16-14(10-15)6-9-18(16)19/h3-5,7-8,10,18H,6,9,11,19H2,1-2H3.
What are the key properties of 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107682901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).