N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine

C14H23NO2S — CID 115899869

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1cccc(OC)c1OC
InChIInChI=1S/C14H23NO2S/c1-5-12(10-18-4)15-9-11-7-6-8-13(16-2)14(11)17-3/h6-8,12,15H,5,9-10H2,1-4H3
InChIKeySUQJHMHDZPICMR-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.93
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 115899869) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
PubChem CID115899869
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1cccc(OC)c1OC
InChIInChI=1S/C14H23NO2S/c1-5-12(10-18-4)15-9-11-7-6-8-13(16-2)14(11)17-3/h6-8,12,15H,5,9-10H2,1-4H3
InChIKeySUQJHMHDZPICMR-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
N-[(2,3-dimethoxyphenyl)methyl]hex-5-yn-3-amine
CID 115654900
N-[(2,3-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 54949454
2-[(2-butan-2-yloxy-3-methoxyphenyl)methylamino]butan-1-ol
CID 54849236
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065
2-[[3-methoxy-2-(2-methylpropoxy)phenyl]methylamino]butan-1-ol
CID 54849183
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
methyl 2-[(2,3-dimethoxyphenyl)methylamino]-3-methylpentanoate
CID 43732350
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899996
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine (CID 115899869) is N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NCc1cccc(OC)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is SUQJHMHDZPICMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-12(10-18-4)15-9-11-7-6-8-13(16-2)14(11)17-3/h6-8,12,15H,5,9-10H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115899869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).