N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine

C15H25NOS — CID 115722060

IUPACN-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCCOc1ccc(C(C)NC(C)CCSC)cc1
InChIInChI=1S/C15H25NOS/c1-5-17-15-8-6-14(7-9-15)13(3)16-12(2)10-11-18-4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyLKNHVVGYEQCWDO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.88
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine

N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine (PubChem CID 115722060) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
PubChem CID115722060
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
SMILESCCOc1ccc(C(C)NC(C)CCSC)cc1
InChIInChI=1S/C15H25NOS/c1-5-17-15-8-6-14(7-9-15)13(3)16-12(2)10-11-18-4/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyLKNHVVGYEQCWDO-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725556
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
1-(4-ethoxyphenyl)-4-methylsulfanylbutan-1-ol
CID 103089990
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-ethylsulfanylbutan-2-amine
CID 115725535
1-(4-ethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719782
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115663811
1-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60936415

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine (CID 115722060) is N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine is CCOc1ccc(C(C)NC(C)CCSC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine?
The InChIKey is LKNHVVGYEQCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-17-15-8-6-14(7-9-15)13(3)16-12(2)10-11-18-4/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine?
N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115722060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).