[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine

C16H19NO3S — CID 65343771

IUPAC[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
SMILESCOc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1CN
InChIInChI=1S/C16H19NO3S/c1-12-3-6-15(7-4-12)21(18,19)11-13-5-8-16(20-2)14(9-13)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyBTPDKPJPEALGSH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.44
Rot. Bonds5

About [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine

[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine (PubChem CID 65343771) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
PubChem CID65343771
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
SMILESCOc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1CN
InChIInChI=1S/C16H19NO3S/c1-12-3-6-15(7-4-12)21(18,19)11-13-5-8-16(20-2)14(9-13)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyBTPDKPJPEALGSH-UHFFFAOYSA-N
XLogP2.44
TPSA69.39 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596
[5-(benzylsulfonylmethyl)-2-methoxyphenyl]methanamine
CID 65343819
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[2-methoxy-5-(3-methoxypropylsulfonylmethyl)phenyl]methanamine
CID 65344155
5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
CID 43444217
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697774
[3-(tert-butylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64645567
2-bromo-5-[(4-methylphenyl)sulfonylmethyl]aniline
CID 115558413
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
3-[(4-methylphenyl)sulfonylmethyl]aniline
CID 43382291
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
CID 81332900

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine (CID 65343771) is [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine is COc1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1CN.
What is the InChIKey of [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is BTPDKPJPEALGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-3-6-15(7-4-12)21(18,19)11-13-5-8-16(20-2)14(9-13)10-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine?
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 305.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 65343771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).