4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

C16H25NO — CID 11021227

IUPAC4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2cccc(OC)c2C1
InChIInChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3
InChIKeyUJEXCOYXKFZVRX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds6

About 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine

4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 11021227) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
PubChem CID11021227
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCN(CCC)C1Cc2cccc(OC)c2C1
InChIInChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3
InChIKeyUJEXCOYXKFZVRX-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine (CID 11021227) is 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is CCCN(CCC)C1Cc2cccc(OC)c2C1.
What is the InChIKey of 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is UJEXCOYXKFZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine?
4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 11021227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).