N-(2-phenylpropyl)quinoxalin-2-amine

C17H17N3 — CID 47142875

IUPACN-(2-phenylpropyl)quinoxalin-2-amine
SMILESCC(CNc1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H17N3/c1-13(14-7-3-2-4-8-14)11-19-17-12-18-15-9-5-6-10-16(15)20-17/h2-10,12-13H,11H2,1H3,(H,19,20)
InChIKeyKQFKTAZPPQMMKZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.85
Rot. Bonds4

About N-(2-phenylpropyl)quinoxalin-2-amine

N-(2-phenylpropyl)quinoxalin-2-amine (PubChem CID 47142875) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-phenylpropyl)quinoxalin-2-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)quinoxalin-2-amine
PubChem CID47142875
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-(2-phenylpropyl)quinoxalin-2-amine
SMILESCC(CNc1cnc2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H17N3/c1-13(14-7-3-2-4-8-14)11-19-17-12-18-15-9-5-6-10-16(15)20-17/h2-10,12-13H,11H2,1H3,(H,19,20)
InChIKeyKQFKTAZPPQMMKZ-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpropyl)quinolin-2-amine
CID 115569576
N-(4-chloro-2-methylbutyl)quinoxalin-2-amine
CID 66089943
5-tert-butyl-N-(2-phenylpropyl)pyridin-2-amine
CID 107874865
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
N-(2-phenylpropyl)pyrido[2,3-b]pyrazin-6-amine
CID 115599010
(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 51943049
(2R)-2,3-dimethyl-1-(quinoxalin-2-ylamino)butan-2-ol
CID 95624706
(1R)-1-(4-chlorophenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 38006311
N-[(1-propan-2-ylcyclopropyl)methyl]quinoxalin-2-amine
CID 114114989
6-N-(2-phenylpropyl)-2-N-propylpyridine-2,6-diamine
CID 104592500

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)quinoxalin-2-amine?
The IUPAC name of N-(2-phenylpropyl)quinoxalin-2-amine (CID 47142875) is N-(2-phenylpropyl)quinoxalin-2-amine.
What is the SMILES notation for N-(2-phenylpropyl)quinoxalin-2-amine?
The canonical SMILES for N-(2-phenylpropyl)quinoxalin-2-amine is CC(CNc1cnc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)quinoxalin-2-amine?
The InChIKey is KQFKTAZPPQMMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(14-7-3-2-4-8-14)11-19-17-12-18-15-9-5-6-10-16(15)20-17/h2-10,12-13H,11H2,1H3,(H,19,20).
What are the key properties of N-(2-phenylpropyl)quinoxalin-2-amine?
N-(2-phenylpropyl)quinoxalin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)quinoxalin-2-amine is sourced from PubChem (CID 47142875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).