5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline

C16H18FNO2S — CID 43104040

IUPAC5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18FNO2S/c1-11-4-7-14(17)10-16(11)18-12(2)13-5-8-15(9-6-13)21(3,19)20/h4-10,12,18H,1-3H3
InChIKeySZFCECPGMMQALJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.71
Rot. Bonds4

About 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline

5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline (PubChem CID 43104040) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
PubChem CID43104040
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H18FNO2S/c1-11-4-7-14(17)10-16(11)18-12(2)13-5-8-15(9-6-13)21(3,19)20/h4-10,12,18H,1-3H3
InChIKeySZFCECPGMMQALJ-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
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4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
3-fluoro-4-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43093299
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
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4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline (CID 43104040) is 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline is Cc1ccc(F)cc1NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
The InChIKey is SZFCECPGMMQALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-11-4-7-14(17)10-16(11)18-12(2)13-5-8-15(9-6-13)21(3,19)20/h4-10,12,18H,1-3H3.
What are the key properties of 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline?
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline has a molecular weight of 307.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline is sourced from PubChem (CID 43104040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).