1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine

C16H19NO3S — CID 56717548

IUPAC1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1OC
InChIInChI=1S/C16H19NO3S/c1-17-11-14-10-13(6-9-16(14)20-2)12-4-7-15(8-5-12)21(3,18)19/h4-10,17H,11H2,1-3H3
InChIKeyKHMJLIFNJMDJCT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine

1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine (PubChem CID 56717548) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
PubChem CID56717548
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1OC
InChIInChI=1S/C16H19NO3S/c1-17-11-14-10-13(6-9-16(14)20-2)12-4-7-15(8-5-12)21(3,18)19/h4-10,17H,11H2,1-3H3
InChIKeyKHMJLIFNJMDJCT-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 69166234
1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
CID 61385585
1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 116506606
1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
CID 62797291
4-methoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032010
2-methoxy-4-(4-methylsulfonylphenyl)phenol
CID 53221054
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
CID 116927354
4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701447
4-methoxy-3-(methylaminomethyl)phenol
CID 84731678
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
(2-methoxy-5-methylsulfonylphenyl)methanesulfonyl chloride
CID 117481135

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine (CID 56717548) is 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine is CNCc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1OC.
What is the InChIKey of 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is KHMJLIFNJMDJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-17-11-14-10-13(6-9-16(14)20-2)12-4-7-15(8-5-12)21(3,18)19/h4-10,17H,11H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine?
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 56717548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).