7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine

C19H23NO — CID 14030320

IUPAC7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine
SMILESCOc1c(C)cc(C)c2c1C(N)C(C)(c1ccccc1)C2
InChIInChI=1S/C19H23NO/c1-12-10-13(2)17(21-4)16-15(12)11-19(3,18(16)20)14-8-6-5-7-9-14/h5-10,18H,11,20H2,1-4H3
InChIKeyKTBULPPJPKQNMJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.83
Rot. Bonds2

About 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine

7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine (PubChem CID 14030320) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine
PubChem CID14030320
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine
SMILESCOc1c(C)cc(C)c2c1C(N)C(C)(c1ccccc1)C2
InChIInChI=1S/C19H23NO/c1-12-10-13(2)17(21-4)16-15(12)11-19(3,18(16)20)14-8-6-5-7-9-14/h5-10,18H,11,20H2,1-4H3
InChIKeyKTBULPPJPKQNMJ-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine?
The IUPAC name of 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine (CID 14030320) is 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine is COc1c(C)cc(C)c2c1C(N)C(C)(c1ccccc1)C2.
What is the InChIKey of 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine?
The InChIKey is KTBULPPJPKQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12-10-13(2)17(21-4)16-15(12)11-19(3,18(16)20)14-8-6-5-7-9-14/h5-10,18H,11,20H2,1-4H3.
What are the key properties of 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine?
7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,4,6-trimethyl-2-phenyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 14030320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).