N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine

C14H23NOS — CID 113350914

IUPACN-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)c1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-5-12(10-17-4)15-11(2)13-8-6-7-9-14(13)16-3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyDBUMNHWHABLDDS-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.49
Rot. Bonds7

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

N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine (PubChem CID 113350914) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
PubChem CID113350914
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)c1ccccc1OC
InChIInChI=1S/C14H23NOS/c1-5-12(10-17-4)15-11(2)13-8-6-7-9-14(13)16-3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyDBUMNHWHABLDDS-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
CID 115906657
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine (CID 113350914) is N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NC(C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is DBUMNHWHABLDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-12(10-17-4)15-11(2)13-8-6-7-9-14(13)16-3/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine?
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 113350914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).