N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine

C21H23N3O — CID 71891918

IUPACN-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(Cc1nc2ccccc2nc1C)C1CC1
InChIInChI=1S/C21H23N3O/c1-15-20(23-19-9-5-4-8-18(19)22-15)14-24(17-11-12-17)13-16-7-3-6-10-21(16)25-2/h3-10,17H,11-14H2,1-2H3
InChIKeyKQJDKDAWGPMQKH-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.11
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine

N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine (PubChem CID 71891918) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
PubChem CID71891918
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine
SMILESCOc1ccccc1CN(Cc1nc2ccccc2nc1C)C1CC1
InChIInChI=1S/C21H23N3O/c1-15-20(23-19-9-5-4-8-18(19)22-15)14-24(17-11-12-17)13-16-7-3-6-10-21(16)25-2/h3-10,17H,11-14H2,1-2H3
InChIKeyKQJDKDAWGPMQKH-UHFFFAOYSA-N
XLogP4.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine (CID 71891918) is N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine is COc1ccccc1CN(Cc1nc2ccccc2nc1C)C1CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine?
The InChIKey is KQJDKDAWGPMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-20(23-19-9-5-4-8-18(19)22-15)14-24(17-11-12-17)13-16-7-3-6-10-21(16)25-2/h3-10,17H,11-14H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine?
N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine has a molecular weight of 333.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(3-methylquinoxalin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 71891918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).