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

C14H23NOS — CID 62583714

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Sc1ccc(C)cc1C
InChIInChI=1S/C14H23NOS/c1-11-5-6-14(12(2)9-11)17-13(3)10-15-7-8-16-4/h5-6,9,13,15H,7-8,10H2,1-4H3
InChIKeyIAPCPLCOIJIZAP-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.02
Rot. Bonds7

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

2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62583714) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID62583714
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)Sc1ccc(C)cc1C
InChIInChI=1S/C14H23NOS/c1-11-5-6-14(12(2)9-11)17-13(3)10-15-7-8-16-4/h5-6,9,13,15H,7-8,10H2,1-4H3
InChIKeyIAPCPLCOIJIZAP-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.02
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

N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581397
1-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)ethanol
CID 62772788
N-[2-(2,4-dimethylphenyl)sulfanylpropyl]cyclopropanamine
CID 62583351
N-(3-methoxypropyl)-2-(3-methylphenyl)sulfanylpropan-1-amine
CID 55091998
N-(2-methoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041082
2-(2,4-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62583352
2-(2-chloro-5-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62598234
N-(2-methoxyethyl)-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-amine
CID 55088268
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 62584866
1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43190157
2-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139642

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine (CID 62583714) is 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)Sc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is IAPCPLCOIJIZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-5-6-14(12(2)9-11)17-13(3)10-15-7-8-16-4/h5-6,9,13,15H,7-8,10H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine?
2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62583714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).