2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine

C16H25NOS — CID 114519466

IUPAC2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine
SMILESCNC(CSC(C)(C)C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H25NOS/c1-16(2,3)19-11-15(17-4)12-5-7-13(8-6-12)18-14-9-10-14/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeyAOGHTOQYMNSHEM-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.02
Rot. Bonds6

About 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine

2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine (PubChem CID 114519466) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine
PubChem CID114519466
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine
SMILESCNC(CSC(C)(C)C)c1ccc(OC2CC2)cc1
InChIInChI=1S/C16H25NOS/c1-16(2,3)19-11-15(17-4)12-5-7-13(8-6-12)18-14-9-10-14/h5-8,14-15,17H,9-11H2,1-4H3
InChIKeyAOGHTOQYMNSHEM-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-1-(3-cyclopropyloxyphenyl)-N-ethylethanamine
CID 114521755
1-(4-cyclopropyloxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105188443
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
1-(4-cyclopropyloxyphenyl)-2-methylsulfanylethanol
CID 114519028
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
CID 65133054
1-(4-cyclopropyloxyphenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114519571
2-tert-butylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65132898
2-(tert-butylamino)-1-(4-cyclopropyloxyphenyl)ethanol
CID 114520400
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
1-(4-cyclopropyloxyphenyl)-N,N-diethyl-1-hydrazinyl-2-methylpropan-2-amine
CID 105239235
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine (CID 114519466) is 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine is CNC(CSC(C)(C)C)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine?
The InChIKey is AOGHTOQYMNSHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-16(2,3)19-11-15(17-4)12-5-7-13(8-6-12)18-14-9-10-14/h5-8,14-15,17H,9-11H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine?
2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine has a molecular weight of 279.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(4-cyclopropyloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 114519466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).