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

C13H19NO — CID 79838026

IUPAC4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
SMILESCOc1ccc(C)c2c1C(C)(C)CC2N
InChIInChI=1S/C13H19NO/c1-8-5-6-10(15-4)12-11(8)9(14)7-13(12,2)3/h5-6,9H,7,14H2,1-4H3
InChIKeyUXGBXWCYICHNRI-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds1

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

4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine (PubChem CID 79838026) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
PubChem CID79838026
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine
SMILESCOc1ccc(C)c2c1C(C)(C)CC2N
InChIInChI=1S/C13H19NO/c1-8-5-6-10(15-4)12-11(8)9(14)7-13(12,2)3/h5-6,9H,7,14H2,1-4H3
InChIKeyUXGBXWCYICHNRI-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine (CID 79838026) is 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine is COc1ccc(C)c2c1C(C)(C)CC2N.
What is the InChIKey of 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
The InChIKey is UXGBXWCYICHNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-5-6-10(15-4)12-11(8)9(14)7-13(12,2)3/h5-6,9H,7,14H2,1-4H3.
What are the key properties of 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine?
4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3,7-trimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79838026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).