N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine

C15H26N2O2S — CID 79859507

IUPACN-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-9-16-12-14-5-7-15(8-6-14)13-17(2)10-11-20(3,18)19/h5-8,16H,4,9-13H2,1-3H3
InChIKeyFTEKFKNLWMEBSX-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.66
Rot. Bonds9

About N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine

N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine (PubChem CID 79859507) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
PubChem CID79859507
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O2S/c1-4-9-16-12-14-5-7-15(8-6-14)13-17(2)10-11-20(3,18)19/h5-8,16H,4,9-13H2,1-3H3
InChIKeyFTEKFKNLWMEBSX-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
N-methyl-2-methylsulfonyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438475
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
CID 62412365
N'-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 113409088
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine (CID 79859507) is N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(CN(C)CCS(C)(=O)=O)cc1.
What is the InChIKey of N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is FTEKFKNLWMEBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-9-16-12-14-5-7-15(8-6-14)13-17(2)10-11-20(3,18)19/h5-8,16H,4,9-13H2,1-3H3.
What are the key properties of N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine?
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 79859507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).