N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine

C15H25NOS — CID 115718883

IUPACN-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCCS(=O)CC)cc1
InChIInChI=1S/C15H25NOS/c1-4-6-14-7-9-15(10-8-14)13(3)16-11-12-18(17)5-2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyGOLUEEXJTMBOHO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.06
Rot. Bonds8

About N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine

N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine (PubChem CID 115718883) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
PubChem CID115718883
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCCS(=O)CC)cc1
InChIInChI=1S/C15H25NOS/c1-4-6-14-7-9-15(10-8-14)13(3)16-11-12-18(17)5-2/h7-10,13,16H,4-6,11-12H2,1-3H3
InChIKeyGOLUEEXJTMBOHO-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfinylethyl)-1-(4-iodophenyl)ethanamine
CID 115718978
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
1-(3,4-dimethylphenyl)-N-(2-ethylsulfinylethyl)ethanamine
CID 115718870
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
3-methylsulfonyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 54905763
N-[1-(4-propylphenyl)ethyl]pent-3-yn-1-amine
CID 116642928
3-propan-2-yloxy-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43102654
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
CID 30045539
2-[1-(2-ethylsulfinylethylamino)ethyl]benzene-1,3-diol
CID 107711285
N'-methyl-N'-propan-2-yl-N-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 106040066

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine (CID 115718883) is N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCCS(=O)CC)cc1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is GOLUEEXJTMBOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-6-14-7-9-15(10-8-14)13(3)16-11-12-18(17)5-2/h7-10,13,16H,4-6,11-12H2,1-3H3.
What are the key properties of N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine?
N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 115718883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).