7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline

C20H21N — CID 85288934

IUPAC7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline
SMILESCCC12c3ccccc3C=NC1(c1ccccc1)C2(C)C
InChIInChI=1S/C20H21N/c1-4-19-17-13-9-8-10-15(17)14-21-20(19,18(19,2)3)16-11-6-5-7-12-16/h5-14H,4H2,1-3H3
InChIKeyAZMCQXQEWFEXMY-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.70
Rot. Bonds2

About 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline

7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline (PubChem CID 85288934) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline.

Molecular Properties

Compound Name7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline
PubChem CID85288934
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline
SMILESCCC12c3ccccc3C=NC1(c1ccccc1)C2(C)C
InChIInChI=1S/C20H21N/c1-4-19-17-13-9-8-10-15(17)14-21-20(19,18(19,2)3)16-11-6-5-7-12-16/h5-14H,4H2,1-3H3
InChIKeyAZMCQXQEWFEXMY-UHFFFAOYSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline?
The IUPAC name of 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline (CID 85288934) is 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline.
What is the SMILES notation for 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline?
The canonical SMILES for 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline is CCC12c3ccccc3C=NC1(c1ccccc1)C2(C)C.
What is the InChIKey of 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline?
The InChIKey is AZMCQXQEWFEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-4-19-17-13-9-8-10-15(17)14-21-20(19,18(19,2)3)16-11-6-5-7-12-16/h5-14H,4H2,1-3H3.
What are the key properties of 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline?
7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline has a molecular weight of 275.40 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7b-ethyl-1,1-dimethyl-1a-phenylcyclopropa[c]isoquinoline is sourced from PubChem (CID 85288934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).