1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine

C15H25NS — CID 65135913

IUPAC1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(CSC(C)CC)Cc1ccccc1
InChIInChI=1S/C15H25NS/c1-4-13(3)17-12-15(16-5-2)11-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3
InChIKeyKIPZLDNHCMAGND-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.74
Rot. Bonds8

About 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine

1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine (PubChem CID 65135913) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
PubChem CID65135913
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
SMILESCCNC(CSC(C)CC)Cc1ccccc1
InChIInChI=1S/C15H25NS/c1-4-13(3)17-12-15(16-5-2)11-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3
InChIKeyKIPZLDNHCMAGND-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-ylsulfanyl-3-phenyl-N-propylpropan-2-amine
CID 65136095
1-butan-2-ylsulfanyl-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 65136261
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932103
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
CID 65141748
1-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105227316
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564
1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132239

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine (CID 65135913) is 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine is CCNC(CSC(C)CC)Cc1ccccc1.
What is the InChIKey of 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
The InChIKey is KIPZLDNHCMAGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-13(3)17-12-15(16-5-2)11-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine?
1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine is sourced from PubChem (CID 65135913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).