N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide

C16H20N2O2S — CID 80690978

IUPACN-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
SMILESCN(c1ccccc1CN)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-18(16-10-6-5-9-15(16)13-17)21(19,20)12-11-14-7-3-2-4-8-14/h2-10H,11-13,17H2,1H3
InChIKeyDVTUUWSRKUHUHW-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide

N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide (PubChem CID 80690978) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
PubChem CID80690978
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
SMILESCN(c1ccccc1CN)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-18(16-10-6-5-9-15(16)13-17)21(19,20)12-11-14-7-3-2-4-8-14/h2-10H,11-13,17H2,1H3
InChIKeyDVTUUWSRKUHUHW-UHFFFAOYSA-N
XLogP2.15
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
CID 107465899
N-[3-(aminomethyl)pentan-3-yl]-N-methyl-2-phenylethanesulfonamide
CID 80686528
N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 110669403
N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690477
N-(1-amino-2-methylpropan-2-yl)-2-phenyl-N-propylethanesulfonamide
CID 80686235
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
CID 28793949
N-(3-amino-2,2-dimethylpropyl)-2-phenyl-N-propylethanesulfonamide
CID 79664110
N-[2-(dimethylamino)phenyl]-N-methyl-1-(2-nitrophenyl)methanesulfonamide
CID 75522296
potassium;hydride;2-phenylethanesulfonamide
CID 173120901

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide (CID 80690978) is N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide is CN(c1ccccc1CN)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide?
The InChIKey is DVTUUWSRKUHUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(16-10-6-5-9-15(16)13-17)21(19,20)12-11-14-7-3-2-4-8-14/h2-10H,11-13,17H2,1H3.
What are the key properties of N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide?
N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide is sourced from PubChem (CID 80690978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).