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

C18H28N2O — CID 79370654

IUPAC6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1N1CCC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-8-19-18-16-11-15(21-3)6-5-14(16)10-17(18)20-9-7-13(2)12-20/h5-6,11,13,17-19H,4,7-10,12H2,1-3H3
InChIKeyCEDCLOBCSWJDCK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.00
Rot. Bonds5

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

6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370654) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79370654
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2cc(OC)ccc2CC1N1CCC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-8-19-18-16-11-15(21-3)6-5-14(16)10-17(18)20-9-7-13(2)12-20/h5-6,11,13,17-19H,4,7-10,12H2,1-3H3
InChIKeyCEDCLOBCSWJDCK-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488
N-ethyl-6-methoxy-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79374745
6-methoxy-2-(2-methylbutan-2-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371150
6-methoxy-2-(4-methoxypiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79370088
2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371140
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 104958462
6-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370659
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758
6-methoxy-N-methyl-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79376284
6-methoxy-2-(2-methoxyethylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79369092
6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370121
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79369397

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 79370654) is 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2cc(OC)ccc2CC1N1CCC(C)C1.
What is the InChIKey of 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CEDCLOBCSWJDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-8-19-18-16-11-15(21-3)6-5-14(16)10-17(18)20-9-7-13(2)12-20/h5-6,11,13,17-19H,4,7-10,12H2,1-3H3.
What are the key properties of 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylpyrrolidin-1-yl)-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).