N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine

C15H25NS — CID 64614895

IUPACN-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
SMILESCCCSC(CC)C(NCC)c1ccccc1
InChIInChI=1S/C15H25NS/c1-4-12-17-14(5-2)15(16-6-3)13-10-8-7-9-11-13/h7-11,14-16H,4-6,12H2,1-3H3
InChIKeyJXUUMBYFMYPYRI-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.26
Rot. Bonds8

About N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine

N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine (PubChem CID 64614895) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
PubChem CID64614895
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
SMILESCCCSC(CC)C(NCC)c1ccccc1
InChIInChI=1S/C15H25NS/c1-4-12-17-14(5-2)15(16-6-3)13-10-8-7-9-11-13/h7-11,14-16H,4-6,12H2,1-3H3
InChIKeyJXUUMBYFMYPYRI-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylethanol
CID 64615452
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 113374028
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64632520
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylbutan-1-amine
CID 64630232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine?
The IUPAC name of N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine (CID 64614895) is N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine?
The canonical SMILES for N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine is CCCSC(CC)C(NCC)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine?
The InChIKey is JXUUMBYFMYPYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-12-17-14(5-2)15(16-6-3)13-10-8-7-9-11-13/h7-11,14-16H,4-6,12H2,1-3H3.
What are the key properties of N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine?
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine is sourced from PubChem (CID 64614895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).