N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine

C14H18N4 — CID 83064268

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
SMILESCCN(Cc1ccccc1N)c1nccnc1C
InChIInChI=1S/C14H18N4/c1-3-18(14-11(2)16-8-9-17-14)10-12-6-4-5-7-13(12)15/h4-9H,3,10,15H2,1-2H3
InChIKeyCFEBXDQGHFUOQA-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.39
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine

N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine (PubChem CID 83064268) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
PubChem CID83064268
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
SMILESCCN(Cc1ccccc1N)c1nccnc1C
InChIInChI=1S/C14H18N4/c1-3-18(14-11(2)16-8-9-17-14)10-12-6-4-5-7-13(12)15/h4-9H,3,10,15H2,1-2H3
InChIKeyCFEBXDQGHFUOQA-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
CID 83062625
2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 60875517
N-[(2-aminophenyl)methyl]-N-ethyl-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787292
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
N-[(2-aminophenyl)methyl]-3-bromo-4-methyl-N-propylpyridin-2-amine
CID 106876283
N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106875251
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylpyrazin-2-amine
CID 83063231
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine (CID 83064268) is N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine is CCN(Cc1ccccc1N)c1nccnc1C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine?
The InChIKey is CFEBXDQGHFUOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-18(14-11(2)16-8-9-17-14)10-12-6-4-5-7-13(12)15/h4-9H,3,10,15H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine?
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine is sourced from PubChem (CID 83064268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).