N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine

C14H23NO2S — CID 115721691

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1ccc(OC)c(C(C)NC(C)CSC)c1
InChIInChI=1S/C14H23NO2S/c1-10(9-18-5)15-11(2)13-8-12(16-3)6-7-14(13)17-4/h6-8,10-11,15H,9H2,1-5H3
InChIKeyIVDZVYXVJQXMPD-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.11
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115721691) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
PubChem CID115721691
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
SMILESCOc1ccc(OC)c(C(C)NC(C)CSC)c1
InChIInChI=1S/C14H23NO2S/c1-10(9-18-5)15-11(2)13-8-12(16-3)6-7-14(13)17-4/h6-8,10-11,15H,9H2,1-5H3
InChIKeyIVDZVYXVJQXMPD-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 97322629
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721915
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466
2-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944858
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115889887
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115663810
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(2S,3R)-3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-methylbutan-1-ol
CID 97232591
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
2-(1-isocyanoethyl)-1,4-dimethoxybenzene
CID 4538904

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine (CID 115721691) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine is COc1ccc(OC)c(C(C)NC(C)CSC)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is IVDZVYXVJQXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(9-18-5)15-11(2)13-8-12(16-3)6-7-14(13)17-4/h6-8,10-11,15H,9H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115721691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).