2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline

C22H20ClN — CID 2576635

IUPAC2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc([C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C22H20ClN/c23-21-12-10-19(11-13-21)22(18-7-2-1-3-8-18)24-15-14-17-6-4-5-9-20(17)16-24/h1-13,22H,14-16H2/t22-/m1/s1
InChIKeyCXCQFEOQOQSCFQ-JOCHJYFZSA-N
MW333.86 g/mol
LogP5.49
Rot. Bonds3

About 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline

2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 2576635) has the molecular formula C22H20ClN and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID2576635
Molecular FormulaC22H20ClN
Molecular Weight333.86 g/mol
Exact Mass333.13
IUPAC Name2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc([C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C22H20ClN/c23-21-12-10-19(11-13-21)22(18-7-2-1-3-8-18)24-15-14-17-6-4-5-9-20(17)16-24/h1-13,22H,14-16H2/t22-/m1/s1
InChIKeyCXCQFEOQOQSCFQ-JOCHJYFZSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.86
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(S)-(4-chlorophenyl)-(1-cyclopentyltetrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433795
2-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 7383007
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 46780996
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine
CID 143257484
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 27420650

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline (CID 2576635) is 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline is Clc1ccc([C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CXCQFEOQOQSCFQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20ClN/c23-21-12-10-19(11-13-21)22(18-7-2-1-3-8-18)24-15-14-17-6-4-5-9-20(17)16-24/h1-13,22H,14-16H2/t22-/m1/s1.
What are the key properties of 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline?
2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 333.86 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 2576635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).