1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

C24H24ClNO2 — CID 3964670

IUPAC1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(Cl)cc(C)cc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H24ClNO2/c1-16-12-21(24(27-2)22(25)13-16)23-20-9-8-19(14-18(20)10-11-26-23)28-15-17-6-4-3-5-7-17/h3-9,12-14,23,26H,10-11,15H2,1-2H3
InChIKeyNXLZRZVEZYKYLY-UHFFFAOYSA-N
MW393.91 g/mol
LogP5.47
Rot. Bonds5

About 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3964670) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3964670
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1c(Cl)cc(C)cc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H24ClNO2/c1-16-12-21(24(27-2)22(25)13-16)23-20-9-8-19(14-18(20)10-11-26-23)28-15-17-6-4-3-5-7-17/h3-9,12-14,23,26H,10-11,15H2,1-2H3
InChIKeyNXLZRZVEZYKYLY-UHFFFAOYSA-N
XLogP5.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.91
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561
1-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3473176
6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3894099
1-(3,5-dichloro-2-methoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5019163
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309
6-(3-chloro-2-methoxy-5-methylphenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 4014042
1-(2,3-dichlorophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3375652

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3964670) is 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is COc1c(Cl)cc(C)cc1C1NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NXLZRZVEZYKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-16-12-21(24(27-2)22(25)13-16)23-20-9-8-19(14-18(20)10-11-26-23)28-15-17-6-4-3-5-7-17/h3-9,12-14,23,26H,10-11,15H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 393.91 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3964670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).