2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine

C25H27NO — CID 175227586

IUPAC2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine
SMILESCOc1ccc(C2C(C)c3cc(N)ccc3C2(C)C)cc1-c1ccccc1
InChIInChI=1S/C25H27NO/c1-16-20-15-19(26)11-12-22(20)25(2,3)24(16)18-10-13-23(27-4)21(14-18)17-8-6-5-7-9-17/h5-16,24H,26H2,1-4H3
InChIKeyOKHTWXQWVQGUHQ-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.12
Rot. Bonds3

About 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine

2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine (PubChem CID 175227586) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine
PubChem CID175227586
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine
SMILESCOc1ccc(C2C(C)c3cc(N)ccc3C2(C)C)cc1-c1ccccc1
InChIInChI=1S/C25H27NO/c1-16-20-15-19(26)11-12-22(20)25(2,3)24(16)18-10-13-23(27-4)21(14-18)17-8-6-5-7-9-17/h5-16,24H,26H2,1-4H3
InChIKeyOKHTWXQWVQGUHQ-UHFFFAOYSA-N
XLogP6.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine?
The IUPAC name of 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine (CID 175227586) is 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine.
What is the SMILES notation for 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine?
The canonical SMILES for 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine is COc1ccc(C2C(C)c3cc(N)ccc3C2(C)C)cc1-c1ccccc1.
What is the InChIKey of 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine?
The InChIKey is OKHTWXQWVQGUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-16-20-15-19(26)11-12-22(20)25(2,3)24(16)18-10-13-23(27-4)21(14-18)17-8-6-5-7-9-17/h5-16,24H,26H2,1-4H3.
What are the key properties of 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine?
2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine has a molecular weight of 357.50 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-phenylphenyl)-1,1,3-trimethyl-2,3-dihydroinden-5-amine is sourced from PubChem (CID 175227586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).