N-[(2-bromophenyl)methyl]isoquinolin-5-amine

C16H13BrN2 — CID 43229357

IUPACN-[(2-bromophenyl)methyl]isoquinolin-5-amine
SMILESBrc1ccccc1CNc1cccc2cnccc12
InChIInChI=1S/C16H13BrN2/c17-15-6-2-1-4-13(15)11-19-16-7-3-5-12-10-18-9-8-14(12)16/h1-10,19H,11H2
InChIKeyOXGACRCHKLEDIF-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.61
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]isoquinolin-5-amine (PubChem CID 43229357) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]isoquinolin-5-amine
PubChem CID43229357
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC NameN-[(2-bromophenyl)methyl]isoquinolin-5-amine
SMILESBrc1ccccc1CNc1cccc2cnccc12
InChIInChI=1S/C16H13BrN2/c17-15-6-2-1-4-13(15)11-19-16-7-3-5-12-10-18-9-8-14(12)16/h1-10,19H,11H2
InChIKeyOXGACRCHKLEDIF-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

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Related Compounds

N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine
CID 83166916
N-[(5-bromo-2-fluorophenyl)methyl]isoquinolin-5-amine
CID 43681278
2-bromo-4-fluoro-N-(isoquinolin-5-ylmethyl)aniline
CID 62824778
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-5-amine
CID 43229368
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
4-bromo-N-(isoquinolin-5-ylmethyl)aniline
CID 62824422
N-[(2-bromophenyl)methyl]-1H-indazol-7-amine
CID 43730933
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
CID 43681370
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine
CID 60683568

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]isoquinolin-5-amine (CID 43229357) is N-[(2-bromophenyl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]isoquinolin-5-amine is Brc1ccccc1CNc1cccc2cnccc12.
What is the InChIKey of N-[(2-bromophenyl)methyl]isoquinolin-5-amine?
The InChIKey is OXGACRCHKLEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-15-6-2-1-4-13(15)11-19-16-7-3-5-12-10-18-9-8-14(12)16/h1-10,19H,11H2.
What are the key properties of N-[(2-bromophenyl)methyl]isoquinolin-5-amine?
N-[(2-bromophenyl)methyl]isoquinolin-5-amine 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 N-[(2-bromophenyl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 43229357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).