1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine

C15H16ClNO3S — CID 114856483

IUPAC1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H16ClNO3S/c1-17-10-11-6-7-12(16)8-15(11)20-13-4-3-5-14(9-13)21(2,18)19/h3-9,17H,10H2,1-2H3
InChIKeyCMXYDBANPYSQAP-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.26
Rot. Bonds5

About 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 114856483) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
PubChem CID114856483
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Cl)cc1Oc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H16ClNO3S/c1-17-10-11-6-7-12(16)8-15(11)20-13-4-3-5-14(9-13)21(2,18)19/h3-9,17H,10H2,1-2H3
InChIKeyCMXYDBANPYSQAP-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856490
1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855010
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 62486836
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine (CID 114856483) is 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Cl)cc1Oc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is CMXYDBANPYSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-17-10-11-6-7-12(16)8-15(11)20-13-4-3-5-14(9-13)21(2,18)19/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 325.82 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114856483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).