1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine

C16H27NS — CID 65127961

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

About 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine

1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine (PubChem CID 65127961) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
PubChem CID65127961
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSCC(Cc1ccc(C(C)(C)C)cc1)NC
InChIInChI=1S/C16H27NS/c1-6-18-12-15(17-5)11-13-7-9-14(10-8-13)16(2,3)4/h7-10,15,17H,6,11-12H2,1-5H3
InChIKeyGCJRARFFJFQELZ-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-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 65128454
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135023
1-ethylsulfanyl-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65127657
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65128332
1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 55108520
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
ethyl 4-(4-tert-butylphenyl)-3-(methylamino)butanoate
CID 82351798
1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
CID 65132386
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
CID 105225207

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine (CID 65127961) is 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine is CCSCC(Cc1ccc(C(C)(C)C)cc1)NC.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine?
The InChIKey is GCJRARFFJFQELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-6-18-12-15(17-5)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)-3-ethylsulfanyl-N-methylpropan-2-amine?
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-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)-3-ethylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 65127961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).