3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine

C14H23NO2S — CID 64657925

IUPAC3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCS(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-12-5-6-14(13(2)11-12)18(16)10-4-7-15-8-9-17-3/h5-6,11,15H,4,7-10H2,1-3H3
InChIKeyCMQMQQRYCIVNIJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.04
Rot. Bonds8

About 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine

3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 64657925) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID64657925
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCS(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO2S/c1-12-5-6-14(13(2)11-12)18(16)10-4-7-15-8-9-17-3/h5-6,11,15H,4,7-10H2,1-3H3
InChIKeyCMQMQQRYCIVNIJ-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64658901
3-(benzenesulfinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64660415
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfinyl]propan-1-amine
CID 64657427
3-(4-bromophenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine
CID 64653443
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 62584866
1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508721
N-(2-methoxyethyl)-3-(2-methoxyethylsulfinyl)propan-1-amine
CID 64652701
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
2-[2-(2,4-dimethylphenyl)sulfinylethoxy]benzonitrile
CID 64692712
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865464
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 83039378

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine (CID 64657925) is 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine is COCCNCCCS(=O)c1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is CMQMQQRYCIVNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12-5-6-14(13(2)11-12)18(16)10-4-7-15-8-9-17-3/h5-6,11,15H,4,7-10H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine?
3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)sulfinyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 64657925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).