6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine

C26H27NO2 — CID 89492543

IUPAC6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@H]1CC1c1ccc(OCc3ccccc3)cc1)CC2
InChIInChI=1S/C26H27NO2/c1-28-22-13-9-20-10-14-25(23(20)15-22)27-26-16-24(26)19-7-11-21(12-8-19)29-17-18-5-3-2-4-6-18/h2-9,11-13,15,24-27H,10,14,16-17H2,1H3/t24?,25?,26-/m0/s1
InChIKeyGTUTWJPRKOCKAP-WNMGUVTHSA-N
MW385.51 g/mol
LogP5.41
Rot. Bonds7

About 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 89492543) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID89492543
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N[C@H]1CC1c1ccc(OCc3ccccc3)cc1)CC2
InChIInChI=1S/C26H27NO2/c1-28-22-13-9-20-10-14-25(23(20)15-22)27-26-16-24(26)19-7-11-21(12-8-19)29-17-18-5-3-2-4-6-18/h2-9,11-13,15,24-27H,10,14,16-17H2,1H3/t24?,25?,26-/m0/s1
InChIKeyGTUTWJPRKOCKAP-WNMGUVTHSA-N
XLogP5.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine (CID 89492543) is 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N[C@H]1CC1c1ccc(OCc3ccccc3)cc1)CC2.
What is the InChIKey of 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GTUTWJPRKOCKAP-WNMGUVTHSA-N. The full InChI is InChI=1S/C26H27NO2/c1-28-22-13-9-20-10-14-25(23(20)15-22)27-26-16-24(26)19-7-11-21(12-8-19)29-17-18-5-3-2-4-6-18/h2-9,11-13,15,24-27H,10,14,16-17H2,1H3/t24?,25?,26-/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 385.51 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-2-(4-phenylmethoxyphenyl)cyclopropyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 89492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).