1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline

C23H22ClNO2 — CID 5023309

IUPAC1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClNO2/c1-26-20-9-10-22-17(13-20)11-12-25-23(22)18-3-2-4-21(14-18)27-15-16-5-7-19(24)8-6-16/h2-10,13-14,23,25H,11-12,15H2,1H3
InChIKeySYEWKRMIGXCJCV-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.16
Rot. Bonds5

About 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline

1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 5023309) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID5023309
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H22ClNO2/c1-26-20-9-10-22-17(13-20)11-12-25-23(22)18-3-2-4-21(14-18)27-15-16-5-7-19(24)8-6-16/h2-10,13-14,23,25H,11-12,15H2,1H3
InChIKeySYEWKRMIGXCJCV-UHFFFAOYSA-N
XLogP5.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

Metofoline
CID 16538
N-ethyl-3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propan-1-amine
CID 44430359
6,7-Diethoxy-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3519554
4-Chloro-2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
CID 3249970
1-(4-Ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3364645
2-Chloro-4-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol;hydrochloride
CID 44522336
1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3013964
(2S,3S,11bS)-3-(3-chlorophenyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-amine
CID 11268786
4-(4-Chlorophenyl)-7-(3-(4-fluoropiperidin-1-yl)propoxy)-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 11647367
N-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)cyclopropanamine
CID 44430363
(2R,3S,11bS)-3-(3-chlorophenyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-amine
CID 44431776
N-[2-[[1-[1-(4-chlorophenyl)cyclobutyl]-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]ethyl]propane-1-sulfonamide
CID 44465025

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 5023309) is 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SYEWKRMIGXCJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-26-20-9-10-22-17(13-20)11-12-25-23(22)18-3-2-4-21(14-18)27-15-16-5-7-19(24)8-6-16/h2-10,13-14,23,25H,11-12,15H2,1H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 379.89 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 5023309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).