2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline

C16H15ClFN — CID 3688499

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc(Cl)c1CN1CCc2ccccc2C1
InChIInChI=1S/C16H15ClFN/c17-15-6-3-7-16(18)14(15)11-19-9-8-12-4-1-2-5-13(12)10-19/h1-7H,8-11H2
InChIKeyCQCGFRYCNJHPTG-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.04
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 3688499) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID3688499
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1cccc(Cl)c1CN1CCc2ccccc2C1
InChIInChI=1S/C16H15ClFN/c17-15-6-3-7-16(18)14(15)11-19-9-8-12-4-1-2-5-13(12)10-19/h1-7H,8-11H2
InChIKeyCQCGFRYCNJHPTG-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
(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
4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 9838051
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
2-[4-(4-fluorophenyl)butyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 127052757
1-(4-Chlorobenzyl)-4-phenylpiperidine
CID 3780175
5-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595083
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 3688499) is 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is Fc1cccc(Cl)c1CN1CCc2ccccc2C1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CQCGFRYCNJHPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-15-6-3-7-16(18)14(15)11-19-9-8-12-4-1-2-5-13(12)10-19/h1-7H,8-11H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 275.75 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3688499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).