N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide

C15H22N2O2 — CID 115272623

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N(C)CC1(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(19-3)12(8-11)14(18)17(2)10-15(9-16)6-7-15/h4-5,8H,6-7,9-10,16H2,1-3H3
InChIKeyNPFWBMBTPQSSKW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide (PubChem CID 115272623) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
PubChem CID115272623
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N(C)CC1(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-5-13(19-3)12(8-11)14(18)17(2)10-15(9-16)6-7-15/h4-5,8H,6-7,9-10,16H2,1-3H3
InChIKeyNPFWBMBTPQSSKW-UHFFFAOYSA-N
XLogP1.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-5-fluoro-2-methoxy-N-methylbenzamide
CID 115272625
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
CID 115272631
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445
2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
CID 62334596
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-N-methylbenzamide
CID 115267700
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 115267710
N-(3-aminopropyl)-N-cyclopentyl-2-methoxy-5-methylbenzamide
CID 62504725
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-N,2,3-trimethylaniline
CID 115244001
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide (CID 115272623) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide is COc1ccc(C)cc1C(=O)N(C)CC1(CN)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide?
The InChIKey is NPFWBMBTPQSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-5-13(19-3)12(8-11)14(18)17(2)10-15(9-16)6-7-15/h4-5,8H,6-7,9-10,16H2,1-3H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide is sourced from PubChem (CID 115272623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).