N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine

C18H17FN2 — CID 114828587

IUPACN-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine
SMILESCC(Cc1cccc(F)c1)Nc1cccc2cnccc12
InChIInChI=1S/C18H17FN2/c1-13(10-14-4-2-6-16(19)11-14)21-18-7-3-5-15-12-20-9-8-17(15)18/h2-9,11-13,21H,10H2,1H3
InChIKeyNMKXGLCKEFYGIE-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.42
Rot. Bonds4

About N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine

N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine (PubChem CID 114828587) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine
PubChem CID114828587
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine
SMILESCC(Cc1cccc(F)c1)Nc1cccc2cnccc12
InChIInChI=1S/C18H17FN2/c1-13(10-14-4-2-6-16(19)11-14)21-18-7-3-5-15-12-20-9-8-17(15)18/h2-9,11-13,21H,10H2,1H3
InChIKeyNMKXGLCKEFYGIE-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
CID 116534270
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
N-[1-(3-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 115928990
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
2-bromo-N-[1-(3-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827902
5-[1-(isoquinolin-5-ylamino)ethyl]benzene-1,3-diol
CID 107705516
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
CID 62813513
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681331

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine (CID 114828587) is N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine is CC(Cc1cccc(F)c1)Nc1cccc2cnccc12.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine?
The InChIKey is NMKXGLCKEFYGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-13(10-14-4-2-6-16(19)11-14)21-18-7-3-5-15-12-20-9-8-17(15)18/h2-9,11-13,21H,10H2,1H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine?
N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine has a molecular weight of 280.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine is sourced from PubChem (CID 114828587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).