ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline

C14H25NO — CID 90725395

IUPACethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.COC1CNCc2ccccc21
InChIInChI=1S/C10H13NO.2C2H6/c1-12-10-7-11-6-8-4-2-3-5-9(8)10;2*1-2/h2-5,10-11H,6-7H2,1H3;2*1-2H3
InChIKeyGMBIXKDHZBTBAN-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds1

About ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline

ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 90725395) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID90725395
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC.CC.COC1CNCc2ccccc21
InChIInChI=1S/C10H13NO.2C2H6/c1-12-10-7-11-6-8-4-2-3-5-9(8)10;2*1-2/h2-5,10-11H,6-7H2,1H3;2*1-2H3
InChIKeyGMBIXKDHZBTBAN-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 90725395) is ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline is CC.CC.COC1CNCc2ccccc21.
What is the InChIKey of ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GMBIXKDHZBTBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.2C2H6/c1-12-10-7-11-6-8-4-2-3-5-9(8)10;2*1-2/h2-5,10-11H,6-7H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline?
ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 223.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 90725395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).