2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine

C18H21FN2 — CID 114832254

IUPAC2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC(Cc1ccccc1F)N1CCc2c(N)cccc2C1
InChIInChI=1S/C18H21FN2/c1-13(11-14-5-2-3-7-17(14)19)21-10-9-16-15(12-21)6-4-8-18(16)20/h2-8,13H,9-12,20H2,1H3
InChIKeyGUGPMZGVAUDTBS-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.40
Rot. Bonds3

About 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine

2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 114832254) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID114832254
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCC(Cc1ccccc1F)N1CCc2c(N)cccc2C1
InChIInChI=1S/C18H21FN2/c1-13(11-14-5-2-3-7-17(14)19)21-10-9-16-15(12-21)6-4-8-18(16)20/h2-8,13H,9-12,20H2,1H3
InChIKeyGUGPMZGVAUDTBS-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61018845
2-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019122
2-[1-(4-bromo-2-fluorophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 82959480
4-[1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-fluorophenol
CID 107720739
2-(1-phenylbutyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019106
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylpropanamide
CID 61015189
2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522154
2-(2-fluoroethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 80695773
2-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903843
2-[1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)propyl]phenol
CID 61019002
2-(2-methoxy-1-phenylethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 103465020
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpropanamide
CID 61013701

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine (CID 114832254) is 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine is CC(Cc1ccccc1F)N1CCc2c(N)cccc2C1.
What is the InChIKey of 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is GUGPMZGVAUDTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13(11-14-5-2-3-7-17(14)19)21-10-9-16-15(12-21)6-4-8-18(16)20/h2-8,13H,9-12,20H2,1H3.
What are the key properties of 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine?
2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 284.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)propan-2-yl]-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 114832254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).