N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine

C17H21NO2S — CID 47052632

IUPACN-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCc1ccccc1CNCc1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H21NO2S/c1-14-5-3-4-6-17(14)12-18-11-15-7-9-16(10-8-15)13-21(2,19)20/h3-10,18H,11-13H2,1-2H3
InChIKeyUBTGSEMEGPQCGQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.83
Rot. Bonds6

About N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine

N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine (PubChem CID 47052632) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
PubChem CID47052632
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
SMILESCc1ccccc1CNCc1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H21NO2S/c1-14-5-3-4-6-17(14)12-18-11-15-7-9-16(10-8-15)13-21(2,19)20/h3-10,18H,11-13H2,1-2H3
InChIKeyUBTGSEMEGPQCGQ-UHFFFAOYSA-N
XLogP2.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine 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-chlorophenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 47052625
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
CID 103239796
4-[[(2-methylphenyl)methylamino]methyl]benzoic acid
CID 3471032
4-[[(2-methylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6459710
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
CID 70442876
1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
CID 166231145
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719674

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine (CID 47052632) is N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine is Cc1ccccc1CNCc1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
The InChIKey is UBTGSEMEGPQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14-5-3-4-6-17(14)12-18-11-15-7-9-16(10-8-15)13-21(2,19)20/h3-10,18H,11-13H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine?
N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine has a molecular weight of 303.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 47052632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).