N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine

C18H17BrN2 — CID 103136162

IUPACN-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cccc2ccncc12
InChIInChI=1S/C18H17BrN2/c1-2-21-18(14-6-8-15(19)9-7-14)16-5-3-4-13-10-11-20-12-17(13)16/h3-12,18,21H,2H2,1H3
InChIKeyMFRSXXOEJDBYTQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.70
Rot. Bonds4

About N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine

N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine (PubChem CID 103136162) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
PubChem CID103136162
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC NameN-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1cccc2ccncc12
InChIInChI=1S/C18H17BrN2/c1-2-21-18(14-6-8-15(19)9-7-14)16-5-3-4-13-10-11-20-12-17(13)16/h3-12,18,21H,2H2,1H3
InChIKeyMFRSXXOEJDBYTQ-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
N-[(3-bromothiophen-2-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103138016
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136936
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
N-ethyl-1-isoquinolin-8-yl-2-propylpentan-1-amine
CID 103138048
N-[(3-iodophenyl)-isoquinolin-5-ylmethyl]ethanamine
CID 115853165
N-[(5-bromofuran-2-yl)-isoquinolin-8-ylmethyl]propan-1-amine
CID 103136300
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N,2-diethyl-1-isoquinolin-8-ylhexan-1-amine
CID 103136570

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine (CID 103136162) is N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine is CCNC(c1ccc(Br)cc1)c1cccc2ccncc12.
What is the InChIKey of N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine?
The InChIKey is MFRSXXOEJDBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-2-21-18(14-6-8-15(19)9-7-14)16-5-3-4-13-10-11-20-12-17(13)16/h3-12,18,21H,2H2,1H3.
What are the key properties of N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine?
N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine is sourced from PubChem (CID 103136162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).