N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride

C16H25ClN2O3 — CID 119610574

IUPACN-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-12-7-8-15(21-2)13(9-12)16(19)18-14-6-4-3-5-11(14)10-17;/h7-9,11,14H,3-6,10,17H2,1-2H3,(H,18,19);1H
InChIKeyCMYADZNVXAHUBN-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride (PubChem CID 119610574) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
PubChem CID119610574
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-20-12-7-8-15(21-2)13(9-12)16(19)18-14-6-4-3-5-11(14)10-17;/h7-9,11,14H,3-6,10,17H2,1-2H3,(H,18,19);1H
InChIKeyCMYADZNVXAHUBN-UHFFFAOYSA-N
XLogP2.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 119605134
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide
CID 118783095
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride (CID 119610574) is N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride is COc1ccc(OC)c(C(=O)NC2CCCCC2CN)c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride?
The InChIKey is CMYADZNVXAHUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-20-12-7-8-15(21-2)13(9-12)16(19)18-14-6-4-3-5-11(14)10-17;/h7-9,11,14H,3-6,10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119610574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).