6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine

C15H23NO2 — CID 113429607

IUPAC6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCCOC(C)C)CC2
InChIInChI=1S/C15H23NO2/c1-11(2)18-9-8-16-15-7-5-12-4-6-13(17-3)10-14(12)15/h4,6,10-11,15-16H,5,7-9H2,1-3H3
InChIKeyWEEPKAVAYJXQRX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds6

About 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 113429607) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID113429607
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCCOC(C)C)CC2
InChIInChI=1S/C15H23NO2/c1-11(2)18-9-8-16-15-7-5-12-4-6-13(17-3)10-14(12)15/h4,6,10-11,15-16H,5,7-9H2,1-3H3
InChIKeyWEEPKAVAYJXQRX-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
N-(2-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113262166
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 79366308
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79367150
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
6-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79366504
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine (CID 113429607) is 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCCOC(C)C)CC2.
What is the InChIKey of 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WEEPKAVAYJXQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-9-8-16-15-7-5-12-4-6-13(17-3)10-14(12)15/h4,6,10-11,15-16H,5,7-9H2,1-3H3.
What are the key properties of 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113429607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).