N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine

C17H27NOS — CID 65165461

IUPACN-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCCC2CCCO2)c1
InChIInChI=1S/C17H27NOS/c1-3-18-14(2)15-7-4-10-17(13-15)20-12-6-9-16-8-5-11-19-16/h4,7,10,13-14,16,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyXRZUINIWMWYQFO-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.41
Rot. Bonds8

About N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine

N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine (PubChem CID 65165461) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine
PubChem CID65165461
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine
SMILESCCNC(C)c1cccc(SCCCC2CCCO2)c1
InChIInChI=1S/C17H27NOS/c1-3-18-14(2)15-7-4-10-17(13-15)20-12-6-9-16-8-5-11-19-16/h4,7,10,13-14,16,18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyXRZUINIWMWYQFO-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.41
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-[1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165463
N-[1-[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165516
3-[3-(oxolan-2-yl)propylsulfanyl]aniline
CID 79133970
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
N-ethyl-1-[3-(2-piperidin-1-ylethylsulfanyl)phenyl]ethanamine
CID 64666998
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine (CID 65165461) is N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine is CCNC(C)c1cccc(SCCCC2CCCO2)c1.
What is the InChIKey of N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine?
The InChIKey is XRZUINIWMWYQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-18-14(2)15-7-4-10-17(13-15)20-12-6-9-16-8-5-11-19-16/h4,7,10,13-14,16,18H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine?
N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine has a molecular weight of 293.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine is sourced from PubChem (CID 65165461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).