(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine

C16H19NO3S — CID 115853675

IUPAC(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO3S/c1-3-20-15-7-5-4-6-14(15)16(17)12-8-10-13(11-9-12)21(2,18)19/h4-11,16H,3,17H2,1-2H3
InChIKeySTYPTGIWQLXGOE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.54
Rot. Bonds5

About (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine

(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine (PubChem CID 115853675) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
PubChem CID115853675
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO3S/c1-3-20-15-7-5-4-6-14(15)16(17)12-8-10-13(11-9-12)21(2,18)19/h4-11,16H,3,17H2,1-2H3
InChIKeySTYPTGIWQLXGOE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 86987230
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 43197870
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine (CID 115853675) is (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine is CCOc1ccccc1C(N)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine?
The InChIKey is STYPTGIWQLXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-20-15-7-5-4-6-14(15)16(17)12-8-10-13(11-9-12)21(2,18)19/h4-11,16H,3,17H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine?
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine has a molecular weight of 305.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 115853675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).