N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine

C17H15BrN2 — CID 43681370

IUPACN-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
SMILESCC(Nc1cccc2cnccc12)c1ccccc1Br
InChIInChI=1S/C17H15BrN2/c1-12(14-6-2-3-7-16(14)18)20-17-8-4-5-13-11-19-10-9-15(13)17/h2-12,20H,1H3
InChIKeyIITSFDYFWJDLME-UHFFFAOYSA-N
MW327.23 g/mol
LogP5.17
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine

N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine (PubChem CID 43681370) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
PubChem CID43681370
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC NameN-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
SMILESCC(Nc1cccc2cnccc12)c1ccccc1Br
InChIInChI=1S/C17H15BrN2/c1-12(14-6-2-3-7-16(14)18)20-17-8-4-5-13-11-19-10-9-15(13)17/h2-12,20H,1H3
InChIKeyIITSFDYFWJDLME-UHFFFAOYSA-N
XLogP5.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.23
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727
N-[1-(2,5-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681276
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
5-[1-(isoquinolin-5-ylamino)ethyl]benzene-1,3-diol
CID 107705516
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine
CID 115925880
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681331
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridin-4-amine
CID 104776934
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine (CID 43681370) is N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine is CC(Nc1cccc2cnccc12)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine?
The InChIKey is IITSFDYFWJDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-12(14-6-2-3-7-16(14)18)20-17-8-4-5-13-11-19-10-9-15(13)17/h2-12,20H,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine?
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine has a molecular weight of 327.23 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine is sourced from PubChem (CID 43681370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).