N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine

C12H19NO2S — CID 64658239

IUPACN-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
SMILESCCNC(C)CS(=O)c1ccccc1OC
InChIInChI=1S/C12H19NO2S/c1-4-13-10(2)9-16(14)12-8-6-5-7-11(12)15-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyHNDXGKAZSNDEPT-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.80
Rot. Bonds6

About N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine

N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine (PubChem CID 64658239) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
PubChem CID64658239
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
SMILESCCNC(C)CS(=O)c1ccccc1OC
InChIInChI=1S/C12H19NO2S/c1-4-13-10(2)9-16(14)12-8-6-5-7-11(12)15-3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyHNDXGKAZSNDEPT-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(2-methoxyphenyl)sulfinylbutan-2-amine
CID 64660191
N-[2-(2-methoxyphenyl)sulfinylethyl]propan-2-amine
CID 64659998
N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759551
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
potassium 2-methoxybenzenesulfinate
CID 70117508
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
CID 64704016
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
3-(ethylamino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387789
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
2-methoxybenzenesulfinic acid;zinc
CID 175016195

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine (CID 64658239) is N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine is CCNC(C)CS(=O)c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine?
The InChIKey is HNDXGKAZSNDEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-13-10(2)9-16(14)12-8-6-5-7-11(12)15-3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine?
N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine has a molecular weight of 241.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine is sourced from PubChem (CID 64658239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).