N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine

C17H27NOS — CID 107762569

IUPACN-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SC1CCOC1C
InChIInChI=1S/C17H27NOS/c1-5-18-17(15-8-6-12(2)7-9-15)14(4)20-16-10-11-19-13(16)3/h6-9,13-14,16-18H,5,10-11H2,1-4H3
InChIKeyJISLXGDLYSQUIO-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.94
Rot. Bonds6

About N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine

N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 107762569) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
PubChem CID107762569
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)SC1CCOC1C
InChIInChI=1S/C17H27NOS/c1-5-18-17(15-8-6-12(2)7-9-15)14(4)20-16-10-11-19-13(16)3/h6-9,13-14,16-18H,5,10-11H2,1-4H3
InChIKeyJISLXGDLYSQUIO-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-2-(2-methyloxolan-3-yl)sulfanyl-1-phenylbutan-1-amine
CID 107762768
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
1-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 107748221
N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750520
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-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)propan-1-amine
CID 64633884
1-(4-methylphenyl)-2-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106496806
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762758
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
CID 62383540
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine (CID 107762569) is N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine is CCNC(c1ccc(C)cc1)C(C)SC1CCOC1C.
What is the InChIKey of N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is JISLXGDLYSQUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-18-17(15-8-6-12(2)7-9-15)14(4)20-16-10-11-19-13(16)3/h6-9,13-14,16-18H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 107762569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).