N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine

C10H13F2NOS — CID 115632625

IUPACN-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine
SMILESCS(=O)CCNCc1cccc(F)c1F
InChIInChI=1S/C10H13F2NOS/c1-15(14)6-5-13-7-8-3-2-4-9(11)10(8)12/h2-4,13H,5-7H2,1H3
InChIKeyOEOXEACSBGIZNF-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.43
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine

N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine (PubChem CID 115632625) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine
PubChem CID115632625
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine
SMILESCS(=O)CCNCc1cccc(F)c1F
InChIInChI=1S/C10H13F2NOS/c1-15(14)6-5-13-7-8-3-2-4-9(11)10(8)12/h2-4,13H,5-7H2,1H3
InChIKeyOEOXEACSBGIZNF-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410212
3-[(2-methylsulfinylethylamino)methyl]benzene-1,2-diol
CID 115978628
N-[2-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43658842
(E)-N-[(2,3-difluorophenyl)methyl]pent-3-en-1-amine
CID 115629131
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
2-ethylsulfinyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 115627127
N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine
CID 100614726
2-methoxy-6-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632548
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
6-[(2,3-difluorophenyl)methylamino]-4-methylhexanoic acid
CID 65289896
ethyl 4-[(2,3-difluorophenyl)methylamino]butanoate
CID 60720227
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632638

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine (CID 115632625) is N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine is CS(=O)CCNCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine?
The InChIKey is OEOXEACSBGIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-15(14)6-5-13-7-8-3-2-4-9(11)10(8)12/h2-4,13H,5-7H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine?
N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine has a molecular weight of 233.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine is sourced from PubChem (CID 115632625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).