1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine

C10H13ClFNO2S — CID 105022440

IUPAC1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO2S/c1-13-10(6-16(2,14)15)8-4-3-7(11)5-9(8)12/h3-5,10,13H,6H2,1-2H3
InChIKeyLENNKQQPQNGDPN-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.78
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine

1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 105022440) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine
PubChem CID105022440
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCNC(CS(C)(=O)=O)c1ccc(Cl)cc1F
InChIInChI=1S/C10H13ClFNO2S/c1-13-10(6-16(2,14)15)8-4-3-7(11)5-9(8)12/h3-5,10,13H,6H2,1-2H3
InChIKeyLENNKQQPQNGDPN-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
N-methyl-2-methylsulfonyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 115605867
(1S)-1-(4-chloro-2-fluorophenyl)-2-methyl-N-[(2R)-1-methylsulfonylpropan-2-yl]propan-1-amine
CID 99820749
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712
1-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064661
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
1-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63417950
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
2-(2-chloro-3-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 115983761
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 63192126

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine (CID 105022440) is 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine is CNC(CS(C)(=O)=O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is LENNKQQPQNGDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-13-10(6-16(2,14)15)8-4-3-7(11)5-9(8)12/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine?
1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 265.74 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 105022440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).