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

C16H16FN — CID 3353508

IUPAC2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C16H16FN/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h1-8H,9-12H2
InChIKeyVNORDHUBNAOTKR-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.38
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 3353508) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID3353508
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(CN2CCc3ccccc3C2)cc1
InChIInChI=1S/C16H16FN/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h1-8H,9-12H2
InChIKeyVNORDHUBNAOTKR-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 39358153
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-fluoroaniline
CID 112645902
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53279578
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026
4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]-1-[(4-fluorophenyl)methyl]piperidin-4-ol
CID 100646656
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643238
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63457850
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzenecarboximidamide
CID 24699878
6-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-amine
CID 91803113

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 3353508) is 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is Fc1ccc(CN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is VNORDHUBNAOTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h1-8H,9-12H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 241.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3353508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).