N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine

C18H31NS — CID 107763388

IUPACN-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CSC(C)C(C)C)NCC)cc1
InChIInChI=1S/C18H31NS/c1-6-8-16-9-11-17(12-10-16)18(19-7-2)13-20-15(5)14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyLDNPAXYPLPDDMH-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.07
Rot. Bonds9

About N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine

N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine (PubChem CID 107763388) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
PubChem CID107763388
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CSC(C)C(C)C)NCC)cc1
InChIInChI=1S/C18H31NS/c1-6-8-16-9-11-17(12-10-16)18(19-7-2)13-20-15(5)14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyLDNPAXYPLPDDMH-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763373
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
CID 113374023
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
2-butylsulfonyl-N-ethyl-1-(4-propylphenyl)ethanamine
CID 64674358
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine (CID 107763388) is N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(CSC(C)C(C)C)NCC)cc1.
What is the InChIKey of N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is LDNPAXYPLPDDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-6-8-16-9-11-17(12-10-16)18(19-7-2)13-20-15(5)14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3.
What are the key properties of N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine?
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 293.52 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 107763388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).