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

C16H16ClN — CID 792349

IUPAC2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccccc1CN1CCc2ccccc2C1
InChIInChI=1S/C16H16ClN/c17-16-8-4-3-7-15(16)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-8H,9-12H2
InChIKeyFFVHTUGWVKEQQG-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.90
Rot. Bonds2

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

2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 792349) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID792349
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccccc1CN1CCc2ccccc2C1
InChIInChI=1S/C16H16ClN/c17-16-8-4-3-7-15(16)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-8H,9-12H2
InChIKeyFFVHTUGWVKEQQG-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;HBr
CID 13646438
2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
CID 436347
2-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 4141883
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
(6S,10bR)-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13646442
(6S,10bR)-6-(3-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13903116
(10bS)-6-(4-chlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 45265727
(E)-3-(2-chloro-6-fluorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 895955
Mcn 5707
CID 126059
4-(4-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9795462

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 792349) is 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is Clc1ccccc1CN1CCc2ccccc2C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is FFVHTUGWVKEQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c17-16-8-4-3-7-15(16)12-18-10-9-13-5-1-2-6-14(13)11-18/h1-8H,9-12H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 257.76 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 792349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).