2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine

C17H15BrN2 — CID 63939977

IUPAC2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1cncc2ccccc12
InChIInChI=1S/C17H15BrN2/c18-14-6-3-4-12(8-14)9-17(19)16-11-20-10-13-5-1-2-7-15(13)16/h1-8,10-11,17H,9,19H2
InChIKeyXAFGQWBMSCQTQE-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.24
Rot. Bonds3

About 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine

2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine (PubChem CID 63939977) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
PubChem CID63939977
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1cncc2ccccc12
InChIInChI=1S/C17H15BrN2/c18-14-6-3-4-12(8-14)9-17(19)16-11-20-10-13-5-1-2-7-15(13)16/h1-8,10-11,17H,9,19H2
InChIKeyXAFGQWBMSCQTQE-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-8-ylethanamine
CID 103137033
N-(3-bromophenyl)-1-isoquinolin-4-ylethane-1,2-diamine
CID 104504152
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
CID 62814184
1-isoquinolin-4-ylnonan-1-amine
CID 115856304
1-isoquinolin-4-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63940953
2-(3-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanol
CID 66159991
2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
CID 104810377

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine (CID 63939977) is 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine is NC(Cc1cccc(Br)c1)c1cncc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine?
The InChIKey is XAFGQWBMSCQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c18-14-6-3-4-12(8-14)9-17(19)16-11-20-10-13-5-1-2-7-15(13)16/h1-8,10-11,17H,9,19H2.
What are the key properties of 2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine?
2-(3-bromophenyl)-1-isoquinolin-4-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-4-ylethanamine is sourced from PubChem (CID 63939977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).