2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline

C16H15Cl2N — CID 90487760

IUPAC2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
SMILESClc1cc(Cl)c2c(c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H15Cl2N/c17-14-8-13-11-19(7-6-15(13)16(18)9-14)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2
InChIKeyMGJCWOXJCJTCOV-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.55
Rot. Bonds2

About 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline

2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline (PubChem CID 90487760) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
PubChem CID90487760
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
SMILESClc1cc(Cl)c2c(c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H15Cl2N/c17-14-8-13-11-19(7-6-15(13)16(18)9-14)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2
InChIKeyMGJCWOXJCJTCOV-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

5,7-dichloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157202
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457058
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
benzylsulfanylbenzene;6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline
CID 142587474
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
2-benzyl-3,4-dihydro-1H-isoquinolin-7-amine;hydrochloride
CID 23298431
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375523
2-[(2,4-dichlorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018181
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 57425284
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline (CID 90487760) is 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline is Clc1cc(Cl)c2c(c1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline?
The InChIKey is MGJCWOXJCJTCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c17-14-8-13-11-19(7-6-15(13)16(18)9-14)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2.
What are the key properties of 2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline?
2-benzyl-5,7-dichloro-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-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 90487760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).