(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine

C12H17NO — CID 130765822

IUPAC(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCc1c(OC)ccc2c1CC[C@H]2N
InChIInChI=1S/C12H17NO/c1-3-8-9-4-6-11(13)10(9)5-7-12(8)14-2/h5,7,11H,3-4,6,13H2,1-2H3/t11-/m1/s1
InChIKeyOUFFHYACJDBAJB-LLVKDONJSA-N
MW191.27 g/mol
LogP2.20
Rot. Bonds2

About (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine

(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 130765822) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID130765822
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCc1c(OC)ccc2c1CC[C@H]2N
InChIInChI=1S/C12H17NO/c1-3-8-9-4-6-11(13)10(9)5-7-12(8)14-2/h5,7,11H,3-4,6,13H2,1-2H3/t11-/m1/s1
InChIKeyOUFFHYACJDBAJB-LLVKDONJSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine (CID 130765822) is (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine is CCc1c(OC)ccc2c1CC[C@H]2N.
What is the InChIKey of (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OUFFHYACJDBAJB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-8-9-4-6-11(13)10(9)5-7-12(8)14-2/h5,7,11H,3-4,6,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine?
(1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-ethyl-5-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130765822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).