1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine

C14H23NOS — CID 115718870

IUPAC1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
SMILESCCS(=O)CCNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NOS/c1-5-17(16)9-8-15-13(4)14-7-6-11(2)12(3)10-14/h6-7,10,13,15H,5,8-9H2,1-4H3
InChIKeyQMXNBHANBRNSHC-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.72
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine

1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine (PubChem CID 115718870) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
PubChem CID115718870
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
SMILESCCS(=O)CCNC(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NOS/c1-5-17(16)9-8-15-13(4)14-7-6-11(2)12(3)10-14/h6-7,10,13,15H,5,8-9H2,1-4H3
InChIKeyQMXNBHANBRNSHC-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
CID 115718978
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
CID 115718883
1-(3,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780942
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
2-[1-(2-ethylsulfinylethylamino)ethyl]benzene-1,3-diol
CID 107711285
2-[1-(3,4-dimethylphenyl)ethylamino]-N-ethylethanesulfonamide
CID 103901958
N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612714
1-(3,4-dimethylphenyl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 64683038
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
N-[1-(3,4-dimethylphenyl)ethyl]-7-methyloctan-1-amine
CID 43098047
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine (CID 115718870) is 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine is CCS(=O)CCNC(C)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine?
The InChIKey is QMXNBHANBRNSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-17(16)9-8-15-13(4)14-7-6-11(2)12(3)10-14/h6-7,10,13,15H,5,8-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine?
1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine is sourced from PubChem (CID 115718870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).