2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline

C19H26N2O2S — CID 71913381

IUPAC2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc(S(C)=O)cc2)c(OCCN(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-15-5-10-18(19(13-15)23-12-11-21(2)3)20-14-16-6-8-17(9-7-16)24(4)22/h5-10,13,20H,11-12,14H2,1-4H3
InChIKeyMQFIYVOZRRXPQE-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.28
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline

2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline (PubChem CID 71913381) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline
PubChem CID71913381
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline
SMILESCc1ccc(NCc2ccc(S(C)=O)cc2)c(OCCN(C)C)c1
InChIInChI=1S/C19H26N2O2S/c1-15-5-10-18(19(13-15)23-12-11-21(2)3)20-14-16-6-8-17(9-7-16)24(4)22/h5-10,13,20H,11-12,14H2,1-4H3
InChIKeyMQFIYVOZRRXPQE-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline 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

2-fluoro-5-methyl-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]aniline
CID 97249625
2-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]acetamide
CID 119889464
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
N-benzyl-2-(2-methoxyethoxy)-4-methylaniline
CID 60935556
4-fluoro-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]-2-prop-2-ynoxyaniline
CID 97031637
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
CID 120647067
2-[2-(dimethylamino)ethoxy]-4-methylbenzenesulfonic acid
CID 87290604
N-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
2-(2-methoxy-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2936004
2-fluoro-N-[(4-methylsulfinylphenyl)methyl]-4-propan-2-yloxyaniline
CID 84595167

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline (CID 71913381) is 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline is Cc1ccc(NCc2ccc(S(C)=O)cc2)c(OCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline?
The InChIKey is MQFIYVOZRRXPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15-5-10-18(19(13-15)23-12-11-21(2)3)20-14-16-6-8-17(9-7-16)24(4)22/h5-10,13,20H,11-12,14H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline?
2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline has a molecular weight of 346.50 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-4-methyl-N-[(4-methylsulfinylphenyl)methyl]aniline is sourced from PubChem (CID 71913381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).