(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline

C17H18ClN — CID 71497717

IUPAC(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)C[C@@H]2c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN/c1-12-6-7-16-14(8-12)10-19(2)11-17(16)13-4-3-5-15(18)9-13/h3-9,17H,10-11H2,1-2H3/t17-/m1/s1
InChIKeyZXQHLFVRUPRIEJ-QGZVFWFLSA-N
MW271.79 g/mol
LogP4.23
Rot. Bonds1

About (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline

(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 71497717) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID71497717
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1)CN(C)C[C@@H]2c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN/c1-12-6-7-16-14(8-12)10-19(2)11-17(16)13-4-3-5-15(18)9-13/h3-9,17H,10-11H2,1-2H3/t17-/m1/s1
InChIKeyZXQHLFVRUPRIEJ-QGZVFWFLSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

(4S)-7-methoxy-2-methyl-4-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 71497003
(Z)-but-2-enedioic acid;(4S)-4-(3-fluorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 174459803
4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 68994309
(Z)-but-2-enedioic acid;2,7-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 131727463
2,7-dimethyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 138554110
(4S)-7-chloro-4-(2-ethylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155698350
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503
buta-1,3-diene;6,7-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 171526432
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
7-(3-methoxyphenyl)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 11602362
4-(1H-indol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 69001139
7-methoxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 66885817

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline (CID 71497717) is (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1)CN(C)C[C@@H]2c1cccc(Cl)c1.
What is the InChIKey of (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZXQHLFVRUPRIEJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-6-7-16-14(8-12)10-19(2)11-17(16)13-4-3-5-15(18)9-13/h3-9,17H,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline?
(4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 271.79 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 71497717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).