N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine

C15H23NOS — CID 79333225

IUPACN-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SC1COC1
InChIInChI=1S/C15H23NOS/c1-4-16-15(12(3)18-14-9-17-10-14)13-7-5-11(2)6-8-13/h5-8,12,14-16H,4,9-10H2,1-3H3
InChIKeyBODXQSZOJMILEX-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine

N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine (PubChem CID 79333225) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
PubChem CID79333225
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SC1COC1
InChIInChI=1S/C15H23NOS/c1-4-16-15(12(3)18-14-9-17-10-14)13-7-5-11(2)6-8-13/h5-8,12,14-16H,4,9-10H2,1-3H3
InChIKeyBODXQSZOJMILEX-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569
N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64612135
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-ethyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)propan-1-amine
CID 64611477
N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine
CID 79333580
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
CID 64633884
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
CID 62383540
2-(cyclopentylmethylsulfanyl)-1-(4-methylphenyl)-N-propylpropan-1-amine
CID 64627775
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106496806

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine (CID 79333225) is N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine is CCNC(c1ccc(C)cc1)C(C)SC1COC1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine?
The InChIKey is BODXQSZOJMILEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-16-15(12(3)18-14-9-17-10-14)13-7-5-11(2)6-8-13/h5-8,12,14-16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine?
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 79333225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).