4-bromo-N-(isoquinolin-5-ylmethyl)aniline

C16H13BrN2 — CID 62824422

IUPAC4-bromo-N-(isoquinolin-5-ylmethyl)aniline
SMILESBrc1ccc(NCc2cccc3cnccc23)cc1
InChIInChI=1S/C16H13BrN2/c17-14-4-6-15(7-5-14)19-11-13-3-1-2-12-10-18-9-8-16(12)13/h1-10,19H,11H2
InChIKeyQXSNTWOQWYCJPP-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.61
Rot. Bonds3

About 4-bromo-N-(isoquinolin-5-ylmethyl)aniline

4-bromo-N-(isoquinolin-5-ylmethyl)aniline (PubChem CID 62824422) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-bromo-N-(isoquinolin-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(isoquinolin-5-ylmethyl)aniline
PubChem CID62824422
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name4-bromo-N-(isoquinolin-5-ylmethyl)aniline
SMILESBrc1ccc(NCc2cccc3cnccc23)cc1
InChIInChI=1S/C16H13BrN2/c17-14-4-6-15(7-5-14)19-11-13-3-1-2-12-10-18-9-8-16(12)13/h1-10,19H,11H2
InChIKeyQXSNTWOQWYCJPP-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(isoquinolin-5-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(isoquinolin-5-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 62823715
3-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824777
2-bromo-4,6-difluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62823178
5-(isoquinolin-5-ylmethylamino)-2-methylbenzoic acid
CID 167808184
1-(3-bromophenyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62823366
2-bromo-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824778
2-bromo-6-chloro-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 107610451
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
3-bromo-5-(difluoromethyl)-N-(isoquinolin-5-ylmethyl)pyridin-2-amine
CID 167827397
N-[(5-bromo-2-fluorophenyl)methyl]isoquinolin-5-amine
CID 43681278
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
4-chloro-N-(isoquinolin-5-ylmethyl)-2-methylaniline
CID 62823888

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(isoquinolin-5-ylmethyl)aniline?
The IUPAC name of 4-bromo-N-(isoquinolin-5-ylmethyl)aniline (CID 62824422) is 4-bromo-N-(isoquinolin-5-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-N-(isoquinolin-5-ylmethyl)aniline?
The canonical SMILES for 4-bromo-N-(isoquinolin-5-ylmethyl)aniline is Brc1ccc(NCc2cccc3cnccc23)cc1.
What is the InChIKey of 4-bromo-N-(isoquinolin-5-ylmethyl)aniline?
The InChIKey is QXSNTWOQWYCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-14-4-6-15(7-5-14)19-11-13-3-1-2-12-10-18-9-8-16(12)13/h1-10,19H,11H2.
What are the key properties of 4-bromo-N-(isoquinolin-5-ylmethyl)aniline?
4-bromo-N-(isoquinolin-5-ylmethyl)aniline has a molecular weight of 313.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(isoquinolin-5-ylmethyl)aniline is sourced from PubChem (CID 62824422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).