N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine

C14H23NO2S — CID 115896280

IUPACN-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
SMILESCOc1cc(C)ccc1C(C)NCC(C)S(C)=O
InChIInChI=1S/C14H23NO2S/c1-10-6-7-13(14(8-10)17-4)12(3)15-9-11(2)18(5)16/h6-8,11-12,15H,9H2,1-5H3
InChIKeyHSTJCFMXUFKXSZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.42
Rot. Bonds6

About N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine

N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115896280) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
PubChem CID115896280
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
SMILESCOc1cc(C)ccc1C(C)NCC(C)S(C)=O
InChIInChI=1S/C14H23NO2S/c1-10-6-7-13(14(8-10)17-4)12(3)15-9-11(2)18(5)16/h6-8,11-12,15H,9H2,1-5H3
InChIKeyHSTJCFMXUFKXSZ-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
3-ethyl-1-[1-(2-methoxy-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783067
N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893267
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
tert-butyl 2-[1-(2-methoxy-4-methylphenyl)ethylamino]acetate
CID 81463582
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 82733612
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine (CID 115896280) is N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine is COc1cc(C)ccc1C(C)NCC(C)S(C)=O.
What is the InChIKey of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is HSTJCFMXUFKXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10-6-7-13(14(8-10)17-4)12(3)15-9-11(2)18(5)16/h6-8,11-12,15H,9H2,1-5H3.
What are the key properties of N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine?
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115896280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).