1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine

C17H17NO2S — CID 64658863

IUPAC1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
SMILESCc1ccc(S(=O)CC(N)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H17NO2S/c1-12-6-8-14(9-7-12)21(19)11-15(18)17-10-13-4-2-3-5-16(13)20-17/h2-10,15H,11,18H2,1H3
InChIKeyHEHKKBDLKWETHB-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.55
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine

1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine (PubChem CID 64658863) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
PubChem CID64658863
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
SMILESCc1ccc(S(=O)CC(N)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H17NO2S/c1-12-6-8-14(9-7-12)21(19)11-15(18)17-10-13-4-2-3-5-16(13)20-17/h2-10,15H,11,18H2,1H3
InChIKeyHEHKKBDLKWETHB-UHFFFAOYSA-N
XLogP3.55
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 43098131
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
2-(3,4-dimethylphenyl)sulfinyl-1-phenylethanamine
CID 64659861
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64658479
1-(1-benzofuran-2-yl)-2-(2,3-dimethylphenoxy)ethanamine
CID 43096132
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
CID 104805595

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine (CID 64658863) is 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine is Cc1ccc(S(=O)CC(N)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine?
The InChIKey is HEHKKBDLKWETHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-6-8-14(9-7-12)21(19)11-15(18)17-10-13-4-2-3-5-16(13)20-17/h2-10,15H,11,18H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine?
1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine has a molecular weight of 299.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine is sourced from PubChem (CID 64658863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).