N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine

C17H17N3 — CID 46344501

IUPACN-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
SMILESCc1cccc(CNCc2ccc3nccnc3c2)c1
InChIInChI=1S/C17H17N3/c1-13-3-2-4-14(9-13)11-18-12-15-5-6-16-17(10-15)20-8-7-19-16/h2-10,18H,11-12H2,1H3
InChIKeyYIBRUJMYCFXPBS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine

N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine (PubChem CID 46344501) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
PubChem CID46344501
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
SMILESCc1cccc(CNCc2ccc3nccnc3c2)c1
InChIInChI=1S/C17H17N3/c1-13-3-2-4-14(9-13)11-18-12-15-5-6-16-17(10-15)20-8-7-19-16/h2-10,18H,11-12H2,1H3
InChIKeyYIBRUJMYCFXPBS-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-(quinoxalin-6-ylmethyl)methanesulfonamide
CID 110672324
1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 46344511
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708063
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(3-methylphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 29282807
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
N-[(1-ethylimidazol-2-yl)methyl]-1-(3-methylphenyl)methanamine
CID 62357739
1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 45106893
1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine
CID 130373377

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine (CID 46344501) is N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine is Cc1cccc(CNCc2ccc3nccnc3c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine?
The InChIKey is YIBRUJMYCFXPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-3-2-4-14(9-13)11-18-12-15-5-6-16-17(10-15)20-8-7-19-16/h2-10,18H,11-12H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine?
N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine is sourced from PubChem (CID 46344501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).