7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol

C20H25NO — CID 155523114

IUPAC7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESOC1Cc2ccccc2CCC1NCCCc1ccccc1
InChIInChI=1S/C20H25NO/c22-20-15-18-11-5-4-10-17(18)12-13-19(20)21-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,19-22H,6,9,12-15H2
InChIKeyIFJVFMCGZBPZGR-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.13
Rot. Bonds5

About 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol

7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (PubChem CID 155523114) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.

Molecular Properties

Compound Name7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
PubChem CID155523114
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
SMILESOC1Cc2ccccc2CCC1NCCCc1ccccc1
InChIInChI=1S/C20H25NO/c22-20-15-18-11-5-4-10-17(18)12-13-19(20)21-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,19-22H,6,9,12-15H2
InChIKeyIFJVFMCGZBPZGR-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The IUPAC name of 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol (CID 155523114) is 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol.
What is the SMILES notation for 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The canonical SMILES for 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is OC1Cc2ccccc2CCC1NCCCc1ccccc1.
What is the InChIKey of 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
The InChIKey is IFJVFMCGZBPZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-20-15-18-11-5-4-10-17(18)12-13-19(20)21-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,19-22H,6,9,12-15H2.
What are the key properties of 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol?
7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol has a molecular weight of 295.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol is sourced from PubChem (CID 155523114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).