(4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline

C24H25NO2 — CID 166625715

IUPAC(4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccc(OCc3ccccc3)cc2[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C24H25NO2/c1-25-15-21-12-13-22(26-17-19-8-4-2-5-9-19)14-23(21)24(16-25)27-18-20-10-6-3-7-11-20/h2-14,24H,15-18H2,1H3/t24-/m0/s1
InChIKeyPZNCBMAUSKKKIT-DEOSSOPVSA-N
MW359.47 g/mol
LogP4.97
Rot. Bonds6

About (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline

(4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline (PubChem CID 166625715) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline
PubChem CID166625715
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccc(OCc3ccccc3)cc2[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C24H25NO2/c1-25-15-21-12-13-22(26-17-19-8-4-2-5-9-19)14-23(21)24(16-25)27-18-20-10-6-3-7-11-20/h2-14,24H,15-18H2,1H3/t24-/m0/s1
InChIKeyPZNCBMAUSKKKIT-DEOSSOPVSA-N
XLogP4.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline (CID 166625715) is (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline is CN1Cc2ccc(OCc3ccccc3)cc2[C@@H](OCc2ccccc2)C1.
What is the InChIKey of (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline?
The InChIKey is PZNCBMAUSKKKIT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25NO2/c1-25-15-21-12-13-22(26-17-19-8-4-2-5-9-19)14-23(21)24(16-25)27-18-20-10-6-3-7-11-20/h2-14,24H,15-18H2,1H3/t24-/m0/s1.
What are the key properties of (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline?
(4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline has a molecular weight of 359.47 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4,6-bis(phenylmethoxy)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 166625715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).