1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine

C14H23NO3S — CID 69398597

IUPAC1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)cc1CCS(C)=O
InChIInChI=1S/C14H23NO3S/c1-10(15)7-12-9-13(17-2)11(5-6-19(4)16)8-14(12)18-3/h8-10H,5-7,15H2,1-4H3
InChIKeyUHUFCDKBUOPDAA-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.51
Rot. Bonds7

About 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine

1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine (PubChem CID 69398597) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine
PubChem CID69398597
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine
SMILESCOc1cc(CC(C)N)c(OC)cc1CCS(C)=O
InChIInChI=1S/C14H23NO3S/c1-10(15)7-12-9-13(17-2)11(5-6-19(4)16)8-14(12)18-3/h8-10H,5-7,15H2,1-4H3
InChIKeyUHUFCDKBUOPDAA-UHFFFAOYSA-N
XLogP1.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
(2S)-1-(4-ethylsulfonyl-2,5-dimethoxyphenyl)propan-2-amine
CID 101190835
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-[2,5-dimethoxy-4-(5,5,5-trifluoropentyl)phenyl]propan-2-amine
CID 165123589
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
1-[2,5-dimethoxy-4-(11-propoxyundecyl)phenyl]propan-2-amine;1-(2-propoxyethoxy)propane
CID 142098543
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
CID 117355444
[5-(2-aminopropyl)-4-methoxy-2-methylphenyl] methanesulfonate;hydrochloride
CID 86611659
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 15915348
1-(4-buta-1,3-dienyl-2,5-dimethoxyphenyl)propan-2-amine
CID 171600059

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine (CID 69398597) is 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine is COc1cc(CC(C)N)c(OC)cc1CCS(C)=O.
What is the InChIKey of 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine?
The InChIKey is UHUFCDKBUOPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(15)7-12-9-13(17-2)11(5-6-19(4)16)8-14(12)18-3/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine?
1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine has a molecular weight of 285.41 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine is sourced from PubChem (CID 69398597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).