2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

C19H23NO3 — CID 792364

IUPAC2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCc3ccccc3C2)c(OC)c1OC
InChIInChI=1S/C19H23NO3/c1-21-17-9-8-16(18(22-2)19(17)23-3)13-20-11-10-14-6-4-5-7-15(14)12-20/h4-9H,10-13H2,1-3H3
InChIKeyLNVVDMHBYLNVQC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.27
Rot. Bonds5

About 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 792364) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID792364
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCc3ccccc3C2)c(OC)c1OC
InChIInChI=1S/C19H23NO3/c1-21-17-9-8-16(18(22-2)19(17)23-3)13-20-11-10-14-6-4-5-7-15(14)12-20/h4-9H,10-13H2,1-3H3
InChIKeyLNVVDMHBYLNVQC-UHFFFAOYSA-N
XLogP3.27
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 792364) is 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(CN2CCc3ccccc3C2)c(OC)c1OC.
What is the InChIKey of 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is LNVVDMHBYLNVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-17-9-8-16(18(22-2)19(17)23-3)13-20-11-10-14-6-4-5-7-15(14)12-20/h4-9H,10-13H2,1-3H3.
What are the key properties of 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 313.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 792364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).