N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine

C17H18N4 — CID 62358942

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine
SMILESCN(Cc1cccc(CN)c1)c1cnc2ccccc2n1
InChIInChI=1S/C17H18N4/c1-21(12-14-6-4-5-13(9-14)10-18)17-11-19-15-7-2-3-8-16(15)20-17/h2-9,11H,10,12,18H2,1H3
InChIKeyBFHSKUKSCKBBDZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.72
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine

N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine (PubChem CID 62358942) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine
PubChem CID62358942
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine
SMILESCN(Cc1cccc(CN)c1)c1cnc2ccccc2n1
InChIInChI=1S/C17H18N4/c1-21(12-14-6-4-5-13(9-14)10-18)17-11-19-15-7-2-3-8-16(15)20-17/h2-9,11H,10,12,18H2,1H3
InChIKeyBFHSKUKSCKBBDZ-UHFFFAOYSA-N
XLogP2.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine (CID 62358942) is N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine is CN(Cc1cccc(CN)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine?
The InChIKey is BFHSKUKSCKBBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-21(12-14-6-4-5-13(9-14)10-18)17-11-19-15-7-2-3-8-16(15)20-17/h2-9,11H,10,12,18H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine?
N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-methylquinoxalin-2-amine is sourced from PubChem (CID 62358942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).