N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C15H23NO3 — CID 79366506

IUPACN-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)C(OC)OC)CC2
InChIInChI=1S/C15H23NO3/c1-10(15(18-3)19-4)16-14-8-6-11-5-7-12(17-2)9-13(11)14/h5,7,9-10,14-16H,6,8H2,1-4H3
InChIKeyZGAJBRZYOPZOLI-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds6

About N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79366506) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79366506
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)C(OC)OC)CC2
InChIInChI=1S/C15H23NO3/c1-10(15(18-3)19-4)16-14-8-6-11-5-7-12(17-2)9-13(11)14/h5,7,9-10,14-16H,6,8H2,1-4H3
InChIKeyZGAJBRZYOPZOLI-UHFFFAOYSA-N
XLogP2.28
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188
N-but-3-en-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 115727850
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79366051
N-(1-ethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366954
6-methoxy-N-[(1S)-1-thiophen-2-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81398619
6-methoxy-N-pent-4-en-2-yl-2,3-dihydro-1H-inden-1-amine
CID 115890286
6-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81363584
N-heptan-2-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366850
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[(1S)-1-(2-chlorophenyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 81374651
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369338

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79366506) is N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NC(C)C(OC)OC)CC2.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZGAJBRZYOPZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(15(18-3)19-4)16-14-8-6-11-5-7-12(17-2)9-13(11)14/h5,7,9-10,14-16H,6,8H2,1-4H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79366506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).