3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol

C16H27NOS — CID 107772701

IUPAC3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
SMILESCCNC(c1ccccc1)C(CC)SC(C)C(C)O
InChIInChI=1S/C16H27NOS/c1-5-15(19-13(4)12(3)18)16(17-6-2)14-10-8-7-9-11-14/h7-13,15-18H,5-6H2,1-4H3
InChIKeyFZAUICPLYGFICH-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.62
Rot. Bonds8

About 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol

3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol (PubChem CID 107772701) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
PubChem CID107772701
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
SMILESCCNC(c1ccccc1)C(CC)SC(C)C(C)O
InChIInChI=1S/C16H27NOS/c1-5-15(19-13(4)12(3)18)16(17-6-2)14-10-8-7-9-11-14/h7-13,15-18H,5-6H2,1-4H3
InChIKeyFZAUICPLYGFICH-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 113374028
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64614445
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol?
The IUPAC name of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol (CID 107772701) is 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol.
What is the SMILES notation for 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol?
The canonical SMILES for 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol is CCNC(c1ccccc1)C(CC)SC(C)C(C)O.
What is the InChIKey of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol?
The InChIKey is FZAUICPLYGFICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-15(19-13(4)12(3)18)16(17-6-2)14-10-8-7-9-11-14/h7-13,15-18H,5-6H2,1-4H3.
What are the key properties of 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol?
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol has a molecular weight of 281.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol is sourced from PubChem (CID 107772701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).