2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

C17H29NOS — CID 106680622

IUPAC2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCCNC(CSC(C)(C)C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H29NOS/c1-8-18-14(11-20-17(4,5)6)16-13(3)9-12(2)10-15(16)19-7/h9-10,14,18H,8,11H2,1-7H3
InChIKeyLDHOLNSYVACVAB-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.49
Rot. Bonds6

About 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine

2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (PubChem CID 106680622) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
PubChem CID106680622
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
SMILESCCNC(CSC(C)(C)C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H29NOS/c1-8-18-14(11-20-17(4,5)6)16-13(3)9-12(2)10-15(16)19-7/h9-10,14,18H,8,11H2,1-7H3
InChIKeyLDHOLNSYVACVAB-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
N-[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 106680796
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
[1-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 106682971
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-2-ylethanamine
CID 106680519
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 106682379
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
CID 43491139

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine (CID 106680622) is 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is CCNC(CSC(C)(C)C)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
The InChIKey is LDHOLNSYVACVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-8-18-14(11-20-17(4,5)6)16-13(3)9-12(2)10-15(16)19-7/h9-10,14,18H,8,11H2,1-7H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine?
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine has a molecular weight of 295.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 106680622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).