(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline

C16H16ClNO — CID 14198574

IUPAC(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1Cl)CCN[C@@H]2c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-19-15-10-13-12(9-14(15)17)7-8-18-16(13)11-5-3-2-4-6-11/h2-6,9-10,16,18H,7-8H2,1H3/t16-/m1/s1
InChIKeySHKRYSPHCKMQQR-MRXNPFEDSA-N
MW273.76 g/mol
LogP3.58
Rot. Bonds2

About (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline

(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 14198574) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID14198574
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1Cl)CCN[C@@H]2c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-19-15-10-13-12(9-14(15)17)7-8-18-16(13)11-5-3-2-4-6-11/h2-6,9-10,16,18H,7-8H2,1H3/t16-/m1/s1
InChIKeySHKRYSPHCKMQQR-MRXNPFEDSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 96956787
6,7-dimethoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933411
1-(4-ethylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3248607
6-methoxy-7-phenylmethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3487799
(1R)-6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672624
1-(4-chlorophenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485258
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
1-(2,3-dichlorophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3375652

Frequently Asked Questions

What is the IUPAC name of (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 14198574) is (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1Cl)CCN[C@@H]2c1ccccc1.
What is the InChIKey of (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SHKRYSPHCKMQQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-19-15-10-13-12(9-14(15)17)7-8-18-16(13)11-5-3-2-4-6-11/h2-6,9-10,16,18H,7-8H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 14198574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).