(1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine

C24H33NO3 — CID 126511591

IUPAC(1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCCOCCCCCOCc1ccccc1
InChIInChI=1S/C24H33NO3/c25-24-22-13-6-5-12-21(22)18-23(24)28-17-9-16-26-14-7-2-8-15-27-19-20-10-3-1-4-11-20/h1,3-6,10-13,23-24H,2,7-9,14-19,25H2/t23-,24+/m1/s1
InChIKeyMGTQEPGWLWADAL-RPWUZVMVSA-N
MW383.53 g/mol
LogP4.42
Rot. Bonds13

About (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine

(1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 126511591) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID126511591
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCCOCCCCCOCc1ccccc1
InChIInChI=1S/C24H33NO3/c25-24-22-13-6-5-12-21(22)18-23(24)28-17-9-16-26-14-7-2-8-15-27-19-20-10-3-1-4-11-20/h1,3-6,10-13,23-24H,2,7-9,14-19,25H2/t23-,24+/m1/s1
InChIKeyMGTQEPGWLWADAL-RPWUZVMVSA-N
XLogP4.42
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine (CID 126511591) is (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine is N[C@H]1c2ccccc2C[C@H]1OCCCOCCCCCOCc1ccccc1.
What is the InChIKey of (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MGTQEPGWLWADAL-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H33NO3/c25-24-22-13-6-5-12-21(22)18-23(24)28-17-9-16-26-14-7-2-8-15-27-19-20-10-3-1-4-11-20/h1,3-6,10-13,23-24H,2,7-9,14-19,25H2/t23-,24+/m1/s1.
What are the key properties of (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 383.53 g/mol, XLogP of 4.42, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[3-(5-phenylmethoxypentoxy)propoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126511591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).