N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline

C19H26N2O2S — CID 84588806

IUPACN,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline
SMILESCc1ccc(CNC(C)c2ccc(S(C)(=O)=O)cc2)c(N(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-14-6-7-17(19(12-14)21(3)4)13-20-15(2)16-8-10-18(11-9-16)24(5,22)23/h6-12,15,20H,13H2,1-5H3
InChIKeyKISFNSIQAOFLPS-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.32
Rot. Bonds6

About N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline

N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline (PubChem CID 84588806) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline
PubChem CID84588806
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline
SMILESCc1ccc(CNC(C)c2ccc(S(C)(=O)=O)cc2)c(N(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-14-6-7-17(19(12-14)21(3)4)13-20-15(2)16-8-10-18(11-9-16)24(5,22)23/h6-12,15,20H,13H2,1-5H3
InChIKeyKISFNSIQAOFLPS-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(4-methyl-2-methylsulfanylphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 97323673
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520681
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520679
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
2-ethyl-N,N,5-trimethylaniline
CID 59382459
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
2,2-dimethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]ethanamine
CID 60817783
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 125081962
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(4-methylsulfonylphenyl)ethanamine
CID 112800115

Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline?
The IUPAC name of N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline (CID 84588806) is N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline.
What is the SMILES notation for N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline?
The canonical SMILES for N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline is Cc1ccc(CNC(C)c2ccc(S(C)(=O)=O)cc2)c(N(C)C)c1.
What is the InChIKey of N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline?
The InChIKey is KISFNSIQAOFLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14-6-7-17(19(12-14)21(3)4)13-20-15(2)16-8-10-18(11-9-16)24(5,22)23/h6-12,15,20H,13H2,1-5H3.
What are the key properties of N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline?
N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline has a molecular weight of 346.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[[1-(4-methylsulfonylphenyl)ethylamino]methyl]aniline is sourced from PubChem (CID 84588806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).