N-(4-phenylbutan-2-yl)quinoxalin-2-amine

C18H19N3 — CID 60716412

IUPACN-(4-phenylbutan-2-yl)quinoxalin-2-amine
SMILESCC(CCc1ccccc1)Nc1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-14(11-12-15-7-3-2-4-8-15)20-18-13-19-16-9-5-6-10-17(16)21-18/h2-10,13-14H,11-12H2,1H3,(H,20,21)
InChIKeyJKTCHLULEFEJRR-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.06
Rot. Bonds5

About N-(4-phenylbutan-2-yl)quinoxalin-2-amine

N-(4-phenylbutan-2-yl)quinoxalin-2-amine (PubChem CID 60716412) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)quinoxalin-2-amine
PubChem CID60716412
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(4-phenylbutan-2-yl)quinoxalin-2-amine
SMILESCC(CCc1ccccc1)Nc1cnc2ccccc2n1
InChIInChI=1S/C18H19N3/c1-14(11-12-15-7-3-2-4-8-15)20-18-13-19-16-9-5-6-10-17(16)21-18/h2-10,13-14H,11-12H2,1H3,(H,20,21)
InChIKeyJKTCHLULEFEJRR-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
6-hydrazinyl-N-(4-phenylbutan-2-yl)pyridin-2-amine
CID 80903512
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
CID 80940320
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]quinoxalin-2-amine
CID 56782052
3-N-quinoxalin-2-ylpentane-1,3-diamine
CID 113496622
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875
N-(1-pyridin-4-ylethyl)quinoxalin-2-amine
CID 55024904
N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)quinoxalin-2-amine?
The IUPAC name of N-(4-phenylbutan-2-yl)quinoxalin-2-amine (CID 60716412) is N-(4-phenylbutan-2-yl)quinoxalin-2-amine.
What is the SMILES notation for N-(4-phenylbutan-2-yl)quinoxalin-2-amine?
The canonical SMILES for N-(4-phenylbutan-2-yl)quinoxalin-2-amine is CC(CCc1ccccc1)Nc1cnc2ccccc2n1.
What is the InChIKey of N-(4-phenylbutan-2-yl)quinoxalin-2-amine?
The InChIKey is JKTCHLULEFEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14(11-12-15-7-3-2-4-8-15)20-18-13-19-16-9-5-6-10-17(16)21-18/h2-10,13-14H,11-12H2,1H3,(H,20,21).
What are the key properties of N-(4-phenylbutan-2-yl)quinoxalin-2-amine?
N-(4-phenylbutan-2-yl)quinoxalin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)quinoxalin-2-amine is sourced from PubChem (CID 60716412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).