N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide

C13H22N2O3S — CID 55009541

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(Cc1ccccc1CN)S(=O)(=O)CCOC
InChIInChI=1S/C13H22N2O3S/c1-3-15(19(16,17)9-8-18-2)11-13-7-5-4-6-12(13)10-14/h4-7H,3,8-11,14H2,1-2H3
InChIKeyLETYUAHYBUZMIE-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.94
Rot. Bonds8

About N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide

N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide (PubChem CID 55009541) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide
PubChem CID55009541
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(Cc1ccccc1CN)S(=O)(=O)CCOC
InChIInChI=1S/C13H22N2O3S/c1-3-15(19(16,17)9-8-18-2)11-13-7-5-4-6-12(13)10-14/h4-7H,3,8-11,14H2,1-2H3
InChIKeyLETYUAHYBUZMIE-UHFFFAOYSA-N
XLogP0.94
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide 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-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
N-benzyl-N-ethyl-2-(2-methoxyethoxy)ethanesulfonamide
CID 110410492
1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide
CID 43588640
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114813844
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutane-1-sulfonamide
CID 54939449
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N-(2-aminoethyl)-N-benzyl-2-ethoxyethanesulfonamide;hydrochloride
CID 120584154
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
3-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]propanoic acid
CID 43588371

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide (CID 55009541) is N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide is CCN(Cc1ccccc1CN)S(=O)(=O)CCOC.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide?
The InChIKey is LETYUAHYBUZMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-15(19(16,17)9-8-18-2)11-13-7-5-4-6-12(13)10-14/h4-7H,3,8-11,14H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide?
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide is sourced from PubChem (CID 55009541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).