N-(2-bromopropyl)-N-methylquinoxalin-2-amine

C12H14BrN3 — CID 80671714

IUPACN-(2-bromopropyl)-N-methylquinoxalin-2-amine
SMILESCC(Br)CN(C)c1cnc2ccccc2n1
InChIInChI=1S/C12H14BrN3/c1-9(13)8-16(2)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3
InChIKeyOACNYHYIEAHNIV-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.85
Rot. Bonds3

About N-(2-bromopropyl)-N-methylquinoxalin-2-amine

N-(2-bromopropyl)-N-methylquinoxalin-2-amine (PubChem CID 80671714) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methylquinoxalin-2-amine
PubChem CID80671714
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-(2-bromopropyl)-N-methylquinoxalin-2-amine
SMILESCC(Br)CN(C)c1cnc2ccccc2n1
InChIInChI=1S/C12H14BrN3/c1-9(13)8-16(2)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3
InChIKeyOACNYHYIEAHNIV-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
CID 115765248
N-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 171702700
N-(3-bromopropyl)-N-propan-2-ylquinoxalin-2-amine
CID 80674790
N',2,2-trimethyl-N'-quinoxalin-2-ylpropane-1,3-diamine
CID 79652289
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440
N'-(2-methylpropyl)-N'-quinoxalin-2-ylethane-1,2-diamine
CID 62585650
N-(1,3-benzothiazol-2-ylmethyl)-N-methylquinoxalin-2-amine
CID 33373467
4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
N-methyl-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642016
N-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 146043495
N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine
CID 62358942
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methylquinoxalin-2-amine?
The IUPAC name of N-(2-bromopropyl)-N-methylquinoxalin-2-amine (CID 80671714) is N-(2-bromopropyl)-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-(2-bromopropyl)-N-methylquinoxalin-2-amine?
The canonical SMILES for N-(2-bromopropyl)-N-methylquinoxalin-2-amine is CC(Br)CN(C)c1cnc2ccccc2n1.
What is the InChIKey of N-(2-bromopropyl)-N-methylquinoxalin-2-amine?
The InChIKey is OACNYHYIEAHNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9(13)8-16(2)12-7-14-10-5-3-4-6-11(10)15-12/h3-7,9H,8H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-N-methylquinoxalin-2-amine?
N-(2-bromopropyl)-N-methylquinoxalin-2-amine has a molecular weight of 280.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methylquinoxalin-2-amine is sourced from PubChem (CID 80671714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).