5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine

C16H11Br2FN2 — CID 106537795

IUPAC5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine
SMILESFc1ccc(Br)c(CNc2nccc3c(Br)cccc23)c1
InChIInChI=1S/C16H11Br2FN2/c17-14-5-4-11(19)8-10(14)9-21-16-13-2-1-3-15(18)12(13)6-7-20-16/h1-8H,9H2,(H,20,21)
InChIKeyNUKVAQTVNYLDTI-UHFFFAOYSA-N
MW410.08 g/mol
LogP5.51
Rot. Bonds3

About 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine

5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine (PubChem CID 106537795) has the molecular formula C16H11Br2FN2 and a molecular weight of 410.08 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine
PubChem CID106537795
Molecular FormulaC16H11Br2FN2
Molecular Weight410.08 g/mol
Exact Mass407.93
IUPAC Name5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine
SMILESFc1ccc(Br)c(CNc2nccc3c(Br)cccc23)c1
InChIInChI=1S/C16H11Br2FN2/c17-14-5-4-11(19)8-10(14)9-21-16-13-2-1-3-15(18)12(13)6-7-20-16/h1-8H,9H2,(H,20,21)
InChIKeyNUKVAQTVNYLDTI-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.08
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenylisoquinolin-1-amine
CID 613037
N-(3-bromophenyl)isoquinolin-1-amine
CID 4321095
1-(4-Amino-butyl)-3-{3-[(5-bromo-pyridin-2-yl)-naphthalen-1-ylmethyl-amino]-propyl}-thiourea
CID 10601454
4-[2-(2,6-difluorophenyl)ethynyl]-N-methylisoquinolin-1-amine
CID 137366949
N-methylisoquinolin-1-amine
CID 22978454
7-bromo-N-(3-bromophenyl)isoquinolin-1-amine
CID 46879685
5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975433
7-N-[(3-bromophenyl)methyl]isoquinoline-1,7-diamine;dihydrochloride
CID 16680799
N-(4-Bromo-isoquinolin-1-yl)-guanidine
CID 44339232
N-(7-Bromo-isoquinolin-1-yl)-guanidine
CID 44339277
2-(5-Bromo-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 44380594
N-(cyclopropylmethyl)-7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 67974709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine?
The IUPAC name of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine (CID 106537795) is 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine?
The canonical SMILES for 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine is Fc1ccc(Br)c(CNc2nccc3c(Br)cccc23)c1.
What is the InChIKey of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine?
The InChIKey is NUKVAQTVNYLDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FN2/c17-14-5-4-11(19)8-10(14)9-21-16-13-2-1-3-15(18)12(13)6-7-20-16/h1-8H,9H2,(H,20,21).
What are the key properties of 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine?
5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine has a molecular weight of 410.08 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-bromo-5-fluorophenyl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106537795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).