(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine

C28H42N2O2 — CID 155468615

IUPAC(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC[C@@H](Cc1ccccc1)OCCCCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C28H42N2O2/c29-22-25(20-23-14-8-7-9-15-23)31-18-12-5-3-1-2-4-6-13-19-32-27-21-24-16-10-11-17-26(24)28(27)30/h7-11,14-17,25,27-28H,1-6,12-13,18-22,29-30H2/t25-,27-,28+/m1/s1
InChIKeyMVPMYXKYQUKKPG-KZQOYIJHSA-N
MW438.66 g/mol
LogP5.34
Rot. Bonds16

About (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine

(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 155468615) has the molecular formula C28H42N2O2 and a molecular weight of 438.66 g/mol. Its IUPAC name is (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID155468615
Molecular FormulaC28H42N2O2
Molecular Weight438.66 g/mol
Exact Mass438.32
IUPAC Name(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC[C@@H](Cc1ccccc1)OCCCCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1N
InChIInChI=1S/C28H42N2O2/c29-22-25(20-23-14-8-7-9-15-23)31-18-12-5-3-1-2-4-6-13-19-32-27-21-24-16-10-11-17-26(24)28(27)30/h7-11,14-17,25,27-28H,1-6,12-13,18-22,29-30H2/t25-,27-,28+/m1/s1
InChIKeyMVPMYXKYQUKKPG-KZQOYIJHSA-N
XLogP5.34
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-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-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine (CID 155468615) is (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine is NC[C@@H](Cc1ccccc1)OCCCCCCCCCCO[C@@H]1Cc2ccccc2[C@@H]1N.
What is the InChIKey of (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MVPMYXKYQUKKPG-KZQOYIJHSA-N. The full InChI is InChI=1S/C28H42N2O2/c29-22-25(20-23-14-8-7-9-15-23)31-18-12-5-3-1-2-4-6-13-19-32-27-21-24-16-10-11-17-26(24)28(27)30/h7-11,14-17,25,27-28H,1-6,12-13,18-22,29-30H2/t25-,27-,28+/m1/s1.
What are the key properties of (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 438.66 g/mol, XLogP of 5.34, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[10-[(2R)-1-amino-3-phenylpropan-2-yl]oxydecoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 155468615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).