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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 46986465
N-(2-bromoethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 80666884
N-(1H-indol-5-ylmethyl)-N-[(2-methoxyphenyl)methyl]cyclopropanamine
CID 46990657
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648276
N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 34980983
methyl 5-[[cyclopropyl-[(2-methoxyphenyl)methyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 78899184
N-[(2-methoxyphenyl)methyl]-1-methyl-N-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-amine
CID 46979352
N-[(2-methoxyphenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120898289
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 50965519
1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 112840259

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).