1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine

C16H27NS — CID 55108520

IUPAC1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NS/c1-6-17-15(12-18-5)11-13-7-9-14(10-8-13)16(2,3)4/h7-10,15,17H,6,11-12H2,1-5H3
InChIKeyXXJXVEBOWLGMRY-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.87
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine

1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine (PubChem CID 55108520) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
PubChem CID55108520
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NS/c1-6-17-15(12-18-5)11-13-7-9-14(10-8-13)16(2,3)4/h7-10,15,17H,6,11-12H2,1-5H3
InChIKeyXXJXVEBOWLGMRY-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135023
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
CID 82351797
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107884664
1-(4-tert-butylphenyl)-4-ethoxy-N-propylbutan-2-amine
CID 105136157
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
N-ethyl-1-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65131725
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine (CID 55108520) is 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine is CCNC(CSC)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The InChIKey is XXJXVEBOWLGMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-6-17-15(12-18-5)11-13-7-9-14(10-8-13)16(2,3)4/h7-10,15,17H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 55108520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).