(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine

C24H31NO2 — CID 175792010

IUPAC(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCCCCCOC1Cc2ccccc2C1
InChIInChI=1S/C24H31NO2/c25-24-22-12-6-5-11-20(22)17-23(24)27-14-8-2-1-7-13-26-21-15-18-9-3-4-10-19(18)16-21/h3-6,9-12,21,23-24H,1-2,7-8,13-17,25H2/t23-,24+/m1/s1
InChIKeyIBZYCUDJKATWBY-RPWUZVMVSA-N
MW365.52 g/mol
LogP4.37
Rot. Bonds9

About (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine

(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 175792010) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID175792010
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCCCCCOC1Cc2ccccc2C1
InChIInChI=1S/C24H31NO2/c25-24-22-12-6-5-11-20(22)17-23(24)27-14-8-2-1-7-13-26-21-15-18-9-3-4-10-19(18)16-21/h3-6,9-12,21,23-24H,1-2,7-8,13-17,25H2/t23-,24+/m1/s1
InChIKeyIBZYCUDJKATWBY-RPWUZVMVSA-N
XLogP4.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine (CID 175792010) is (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine is N[C@H]1c2ccccc2C[C@H]1OCCCCCCOC1Cc2ccccc2C1.
What is the InChIKey of (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IBZYCUDJKATWBY-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H31NO2/c25-24-22-12-6-5-11-20(22)17-23(24)27-14-8-2-1-7-13-26-21-15-18-9-3-4-10-19(18)16-21/h3-6,9-12,21,23-24H,1-2,7-8,13-17,25H2/t23-,24+/m1/s1.
What are the key properties of (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 365.52 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[6-(2,3-dihydro-1H-inden-2-yloxy)hexoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 175792010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).