N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C15H16BrN3 — CID 106876196

IUPACN-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCc1ccnc(Nc2cccc3c2CCNC3)c1Br
InChIInChI=1S/C15H16BrN3/c1-10-5-8-18-15(14(10)16)19-13-4-2-3-11-9-17-7-6-12(11)13/h2-5,8,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyOYHSGXRVYPXYKV-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.54
Rot. Bonds2

About N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 106876196) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID106876196
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC NameN-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESCc1ccnc(Nc2cccc3c2CCNC3)c1Br
InChIInChI=1S/C15H16BrN3/c1-10-5-8-18-15(14(10)16)19-13-4-2-3-11-9-17-7-6-12(11)13/h2-5,8,17H,6-7,9H2,1H3,(H,18,19)
InChIKeyOYHSGXRVYPXYKV-UHFFFAOYSA-N
XLogP3.54
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 106876196) is N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is Cc1ccnc(Nc2cccc3c2CCNC3)c1Br.
What is the InChIKey of N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is OYHSGXRVYPXYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-10-5-8-18-15(14(10)16)19-13-4-2-3-11-9-17-7-6-12(11)13/h2-5,8,17H,6-7,9H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 318.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 106876196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).