6-methoxy-1-phenyl-2,3-dihydroinden-1-amine

C16H17NO — CID 79374582

IUPAC6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1ccccc1)CC2
InChIInChI=1S/C16H17NO/c1-18-14-8-7-12-9-10-16(17,15(12)11-14)13-5-3-2-4-6-13/h2-8,11H,9-10,17H2,1H3
InChIKeyWYPTUNXYVPAQOR-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.84
Rot. Bonds2

About 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine

6-methoxy-1-phenyl-2,3-dihydroinden-1-amine (PubChem CID 79374582) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
PubChem CID79374582
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(c1ccccc1)CC2
InChIInChI=1S/C16H17NO/c1-18-14-8-7-12-9-10-16(17,15(12)11-14)13-5-3-2-4-6-13/h2-8,11H,9-10,17H2,1H3
InChIKeyWYPTUNXYVPAQOR-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine?
The IUPAC name of 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine (CID 79374582) is 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine.
What is the SMILES notation for 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine?
The canonical SMILES for 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(c1ccccc1)CC2.
What is the InChIKey of 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine?
The InChIKey is WYPTUNXYVPAQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-18-14-8-7-12-9-10-16(17,15(12)11-14)13-5-3-2-4-6-13/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine?
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine has a molecular weight of 239.32 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenyl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79374582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).