2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine

C20H27NO2S — CID 46992780

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine
SMILESCc1ccccc1CN(Cc1ccc(S(C)(=O)=O)cc1)CC(C)C
InChIInChI=1S/C20H27NO2S/c1-16(2)13-21(15-19-8-6-5-7-17(19)3)14-18-9-11-20(12-10-18)24(4,22)23/h5-12,16H,13-15H2,1-4H3
InChIKeyMQQJCFVXVIKTEG-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.06
Rot. Bonds7

About 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine

2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine (PubChem CID 46992780) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine
PubChem CID46992780
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine
SMILESCc1ccccc1CN(Cc1ccc(S(C)(=O)=O)cc1)CC(C)C
InChIInChI=1S/C20H27NO2S/c1-16(2)13-21(15-19-8-6-5-7-17(19)3)14-18-9-11-20(12-10-18)24(4,22)23/h5-12,16H,13-15H2,1-4H3
InChIKeyMQQJCFVXVIKTEG-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine (CID 46992780) is 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine is Cc1ccccc1CN(Cc1ccc(S(C)(=O)=O)cc1)CC(C)C.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine?
The InChIKey is MQQJCFVXVIKTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-16(2)13-21(15-19-8-6-5-7-17(19)3)14-18-9-11-20(12-10-18)24(4,22)23/h5-12,16H,13-15H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine?
2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine has a molecular weight of 345.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 46992780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).