2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine

C16H19NOS — CID 64659861

IUPAC2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
SMILESCc1ccc(S(=O)CC(N)c2ccccc2)cc1C
InChIInChI=1S/C16H19NOS/c1-12-8-9-15(10-13(12)2)19(18)11-16(17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyQQINBJMAXYQTGM-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.11
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine

2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine (PubChem CID 64659861) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
PubChem CID64659861
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
SMILESCc1ccc(S(=O)CC(N)c2ccccc2)cc1C
InChIInChI=1S/C16H19NOS/c1-12-8-9-15(10-13(12)2)19(18)11-16(17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyQQINBJMAXYQTGM-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
CID 64659864
3-(3,4-dimethylphenyl)sulfinyl-2-methylpropanoic acid
CID 61302341
2-tert-butylsulfinyl-1-phenylethanamine
CID 64651527
2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
CID 64658254
2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64659622
2-[2-[(3,4-dimethylphenyl)sulfinylmethyl]phenyl]acetic acid
CID 115463227
1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
CID 64658863
1-phenyl-2-propylsulfinylethanamine
CID 64653199
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64650805
methyl 2-acetamido-3-(3,4-dimethylphenyl)sulfinylpropanoate
CID 65475192
1-(3,4-dimethylphenyl)sulfinylpropan-2-one
CID 64636691

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine (CID 64659861) is 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine is Cc1ccc(S(=O)CC(N)c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine?
The InChIKey is QQINBJMAXYQTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-8-9-15(10-13(12)2)19(18)11-16(17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine?
2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine is sourced from PubChem (CID 64659861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).