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

C16H15Cl2N — CID 785707

IUPAC2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc(CN2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H15Cl2N/c17-15-6-5-12(9-16(15)18)10-19-8-7-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11H2
InChIKeyGSOOGISHYHOMJL-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.55
Rot. Bonds2

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

2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 785707) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID785707
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc(CN2CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C16H15Cl2N/c17-15-6-5-12(9-16(15)18)10-19-8-7-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11H2
InChIKeyGSOOGISHYHOMJL-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CID 123920
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
(6S,10bR)-6-(3,4-dichlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13646516
6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 44384230
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 123919
1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-phenyl-propyl)-piperazine
CID 401827
4-(4-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9795462
4-(3-chlorophenyl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 9838350
4-(4-chloro-3-fluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9882047
4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 10355130
7-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595069

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 785707) is 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is Clc1ccc(CN2CCc3ccccc3C2)cc1Cl.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is GSOOGISHYHOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-15-6-5-12(9-16(15)18)10-19-8-7-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 292.21 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 785707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).