3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine

C18H21FN2 — CID 62643238

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESNC(CCN1CCc2ccccc2C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2/c19-17-7-5-15(6-8-17)18(20)10-12-21-11-9-14-3-1-2-4-16(14)13-21/h1-8,18H,9-13,20H2
InChIKeyHILUOTBZBHMZNN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.27
Rot. Bonds4

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine (PubChem CID 62643238) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
PubChem CID62643238
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
SMILESNC(CCN1CCc2ccccc2C1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2/c19-17-7-5-15(6-8-17)18(20)10-12-21-11-9-14-3-1-2-4-16(14)13-21/h1-8,18H,9-13,20H2
InChIKeyHILUOTBZBHMZNN-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619055
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
1-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619056
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
(2R)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 142349412
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
1-(4-fluorophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645202
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 15945201
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
CID 114410803
3-(4,4-dimethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 65281721

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine (CID 62643238) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine is NC(CCN1CCc2ccccc2C1)c1ccc(F)cc1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is HILUOTBZBHMZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-7-5-15(6-8-17)18(20)10-12-21-11-9-14-3-1-2-4-16(14)13-21/h1-8,18H,9-13,20H2.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 284.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62643238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).