N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine

C18H19N3 — CID 106900035

IUPACN-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
SMILESCCc1ccc(CNc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H19N3/c1-3-14-8-10-15(11-9-14)12-19-18-13(2)20-16-6-4-5-7-17(16)21-18/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyKDSDKFPQRZJQCV-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.11
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine

N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine (PubChem CID 106900035) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
PubChem CID106900035
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
SMILESCCc1ccc(CNc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C18H19N3/c1-3-14-8-10-15(11-9-14)12-19-18-13(2)20-16-6-4-5-7-17(16)21-18/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyKDSDKFPQRZJQCV-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(pyridin-4-ylmethyl)quinoxalin-2-amine
CID 60734444
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62537479
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylquinoxalin-2-amine
CID 133306015
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
3-methyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]quinoxalin-2-amine
CID 108774975
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033
N-methyl-N-[4-[[(3-methylquinoxalin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133305360
3-methyl-N-[(3-methylthiophen-2-yl)methyl]quinoxalin-2-amine
CID 34013980
3-methyl-N-(1,2-oxazol-5-ylmethyl)quinoxalin-2-amine
CID 106419114
3-methyl-N-prop-2-enylquinoxalin-2-amine
CID 60734557
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine (CID 106900035) is N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine is CCc1ccc(CNc2nc3ccccc3nc2C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine?
The InChIKey is KDSDKFPQRZJQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-14-8-10-15(11-9-14)12-19-18-13(2)20-16-6-4-5-7-17(16)21-18/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine?
N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine is sourced from PubChem (CID 106900035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).