7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine

C28H28N2O2S — CID 69425780

IUPAC7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1ccc(COc2ccc(OCc3ccccc3)c(CCc3nccs3)c2)c2c1CCC2
InChIInChI=1S/C28H28N2O2S/c29-26-12-9-22(24-7-4-8-25(24)26)19-31-23-11-13-27(32-18-20-5-2-1-3-6-20)21(17-23)10-14-28-30-15-16-33-28/h1-3,5-6,9,11-13,15-17H,4,7-8,10,14,18-19,29H2
InChIKeyGXWXWDQISJGHJP-UHFFFAOYSA-N
MW456.61 g/mol
LogP6.16
Rot. Bonds9

About 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine

7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 69425780) has the molecular formula C28H28N2O2S and a molecular weight of 456.61 g/mol. Its IUPAC name is 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine
PubChem CID69425780
Molecular FormulaC28H28N2O2S
Molecular Weight456.61 g/mol
Exact Mass456.19
IUPAC Name7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1ccc(COc2ccc(OCc3ccccc3)c(CCc3nccs3)c2)c2c1CCC2
InChIInChI=1S/C28H28N2O2S/c29-26-12-9-22(24-7-4-8-25(24)26)19-31-23-11-13-27(32-18-20-5-2-1-3-6-20)21(17-23)10-14-28-30-15-16-33-28/h1-3,5-6,9,11-13,15-17H,4,7-8,10,14,18-19,29H2
InChIKeyGXWXWDQISJGHJP-UHFFFAOYSA-N
XLogP6.16
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine with MolForge

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Related Compounds

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CID 58999316
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CID 170864797
7-[3-[(4-fluorophenyl)methyl]-4-phenylmethoxyphenoxy]-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 21110598
2-(2-phenylmethoxyethyl)-1,3-thiazole
CID 131048926
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CID 170870322
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
2-(3-methylbut-2-enyl)-1,4-bis(phenylmethoxy)benzene
CID 11121904

Frequently Asked Questions

What is the IUPAC name of 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine (CID 69425780) is 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine is Nc1ccc(COc2ccc(OCc3ccccc3)c(CCc3nccs3)c2)c2c1CCC2.
What is the InChIKey of 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is GXWXWDQISJGHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2S/c29-26-12-9-22(24-7-4-8-25(24)26)19-31-23-11-13-27(32-18-20-5-2-1-3-6-20)21(17-23)10-14-28-30-15-16-33-28/h1-3,5-6,9,11-13,15-17H,4,7-8,10,14,18-19,29H2.
What are the key properties of 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine?
7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 456.61 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)ethyl]phenoxy]methyl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 69425780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).