2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine

C17H15BrN2 — CID 103137033

IUPAC2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1cccc2ccncc12
InChIInChI=1S/C17H15BrN2/c18-14-5-1-3-12(9-14)10-17(19)15-6-2-4-13-7-8-20-11-16(13)15/h1-9,11,17H,10,19H2
InChIKeyIGYUHFNQKPWJNP-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.24
Rot. Bonds3

About 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine

2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine (PubChem CID 103137033) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
PubChem CID103137033
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1cccc2ccncc12
InChIInChI=1S/C17H15BrN2/c18-14-5-1-3-12(9-14)10-17(19)15-6-2-4-13-7-8-20-11-16(13)15/h1-9,11,17H,10,19H2
InChIKeyIGYUHFNQKPWJNP-UHFFFAOYSA-N
XLogP4.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
CID 63939977
2-(3-bromophenyl)-1-pyrimidin-4-ylethanamine
CID 63987893
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
CID 62814184
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
2-(3-bromophenyl)-1-pyrazin-2-ylethanol
CID 60798703

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine (CID 103137033) is 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine is NC(Cc1cccc(Br)c1)c1cccc2ccncc12.
What is the InChIKey of 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine?
The InChIKey is IGYUHFNQKPWJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c18-14-5-1-3-12(9-14)10-17(19)15-6-2-4-13-7-8-20-11-16(13)15/h1-9,11,17H,10,19H2.
What are the key properties of 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine?
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine has a molecular weight of 327.23 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine is sourced from PubChem (CID 103137033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).