2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine

C17H29NS — CID 106849374

IUPAC2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(SCC)cc1)C(CC)CC
InChIInChI=1S/C17H29NS/c1-5-13-18-17(14(6-2)7-3)15-9-11-16(12-10-15)19-8-4/h9-12,14,17-18H,5-8,13H2,1-4H3
InChIKeyPTQQLYKXNRKLST-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.28
Rot. Bonds9

About 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine

2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine (PubChem CID 106849374) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
PubChem CID106849374
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(SCC)cc1)C(CC)CC
InChIInChI=1S/C17H29NS/c1-5-13-18-17(14(6-2)7-3)15-9-11-16(12-10-15)19-8-4/h9-12,14,17-18H,5-8,13H2,1-4H3
InChIKeyPTQQLYKXNRKLST-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
CID 66259547
2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
CID 116959909
2-methyl-1-(4-methylsulfanylphenyl)-N-propylbutan-1-amine
CID 105017368
N-[(4-ethylsulfanylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 106849348
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106849296
1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 106849339
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine (CID 106849374) is 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine is CCCNC(c1ccc(SCC)cc1)C(CC)CC.
What is the InChIKey of 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine?
The InChIKey is PTQQLYKXNRKLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-13-18-17(14(6-2)7-3)15-9-11-16(12-10-15)19-8-4/h9-12,14,17-18H,5-8,13H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine?
2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 106849374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).