2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine

C14H23NS — CID 64613420

IUPAC2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
SMILESCCNC(CSC(C)CC)c1ccccc1
InChIInChI=1S/C14H23NS/c1-4-12(3)16-11-14(15-5-2)13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3
InChIKeyMXVKUXKELGQHSK-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.87
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine

2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine (PubChem CID 64613420) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
PubChem CID64613420
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
SMILESCCNC(CSC(C)CC)c1ccccc1
InChIInChI=1S/C14H23NS/c1-4-12(3)16-11-14(15-5-2)13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3
InChIKeyMXVKUXKELGQHSK-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64612599
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
CID 65136268
2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
CID 65136205
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
CID 64614449
2-butan-2-ylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64613831
1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
N-(2-butan-2-ylsulfanyl-1-pyridin-3-ylethyl)propan-1-amine
CID 65141692
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine (CID 64613420) is 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine is CCNC(CSC(C)CC)c1ccccc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine?
The InChIKey is MXVKUXKELGQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-12(3)16-11-14(15-5-2)13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine?
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine has a molecular weight of 237.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 64613420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).