1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine

C17H15BrN2 — CID 62823366

IUPAC1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2cccc3cnccc23)c1
InChIInChI=1S/C17H15BrN2/c18-16-6-1-3-13(9-16)10-20-12-15-5-2-4-14-11-19-8-7-17(14)15/h1-9,11,20H,10,12H2
InChIKeyBRTOJYHEJYXNOM-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.29
Rot. Bonds4

About 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine

1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine (PubChem CID 62823366) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
PubChem CID62823366
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
SMILESBrc1cccc(CNCc2cccc3cnccc23)c1
InChIInChI=1S/C17H15BrN2/c18-16-6-1-3-13(9-16)10-20-12-15-5-2-4-14-11-19-8-7-17(14)15/h1-9,11,20H,10,12H2
InChIKeyBRTOJYHEJYXNOM-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381709
1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 62823191
4-bromo-N-(isoquinolin-5-ylmethyl)aniline
CID 62824422
1-(3-bromophenyl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748377
1-(4-bromophenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 10782345
2-bromo-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824778
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine
CID 167827397
2-bromo-4,6-difluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62823178
2-(isoquinolin-5-ylmethylamino)-1-phenylethanol
CID 62823894
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381730
N-(isoquinolin-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 63242304

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine (CID 62823366) is 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine is Brc1cccc(CNCc2cccc3cnccc23)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine?
The InChIKey is BRTOJYHEJYXNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c18-16-6-1-3-13(9-16)10-20-12-15-5-2-4-14-11-19-8-7-17(14)15/h1-9,11,20H,10,12H2.
What are the key properties of 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine?
1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine has a molecular weight of 327.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine is sourced from PubChem (CID 62823366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).