1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine

C18H31NS — CID 107763794

IUPAC1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
SMILESCCC(C)CSCC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NS/c1-7-14(2)12-20-13-17(19-6)15-8-10-16(11-9-15)18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyIOQWXDQDMJIYHD-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.02
Rot. Bonds7

About 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine

1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine (PubChem CID 107763794) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
PubChem CID107763794
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
SMILESCCC(C)CSCC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NS/c1-7-14(2)12-20-13-17(19-6)15-8-10-16(11-9-15)18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyIOQWXDQDMJIYHD-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-tert-butylphenyl)-2-(ethylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105660
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763776
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107763634
1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981431
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
1-(4-tert-butylphenyl)-3-methylpentan-1-amine
CID 114874175
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79670946

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine (CID 107763794) is 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine is CCC(C)CSCC(NC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine?
The InChIKey is IOQWXDQDMJIYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-7-14(2)12-20-13-17(19-6)15-8-10-16(11-9-15)18(3,4)5/h8-11,14,17,19H,7,12-13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine?
1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine has a molecular weight of 293.52 g/mol, XLogP of 5.02, 7 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-methyl-2-(2-methylbutylsulfanyl)ethanamine is sourced from PubChem (CID 107763794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).