2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine

C17H27NOS — CID 114521755

IUPAC2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)(C)C)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H27NOS/c1-5-18-16(12-20-17(2,3)4)13-7-6-8-15(11-13)19-14-9-10-14/h6-8,11,14,16,18H,5,9-10,12H2,1-4H3
InChIKeyMJYBFAZATLIYTO-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.41
Rot. Bonds7

About 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine

2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine (PubChem CID 114521755) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
PubChem CID114521755
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)(C)C)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H27NOS/c1-5-18-16(12-20-17(2,3)4)13-7-6-8-15(11-13)19-14-9-10-14/h6-8,11,14,16,18H,5,9-10,12H2,1-4H3
InChIKeyMJYBFAZATLIYTO-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-ethylethanamine
CID 114521821
1-(3-cyclopropyloxyphenyl)-N-ethyloctan-1-amine
CID 105051902
2-cyclopentyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 105051728
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 114522301
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
1-(3-cyclopropyloxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103547261
N-[(3-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 114521545
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 114521652
1-(3-cyclopropyloxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105051932
2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine
CID 114519466
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine (CID 114521755) is 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine is CCNC(CSC(C)(C)C)c1cccc(OC2CC2)c1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine?
The InChIKey is MJYBFAZATLIYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-18-16(12-20-17(2,3)4)13-7-6-8-15(11-13)19-14-9-10-14/h6-8,11,14,16,18H,5,9-10,12H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine?
2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine has a molecular weight of 293.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 114521755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).