1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine

C18H19NOS — CID 64620131

IUPAC1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C18H19NOS/c1-12-7-8-18(13(2)9-12)21-11-15(19)17-10-14-5-3-4-6-16(14)20-17/h3-10,15H,11,19H2,1-2H3
InChIKeyNVWTUJTUDYFGRS-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.84
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine

1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine (PubChem CID 64620131) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
PubChem CID64620131
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2cc3ccccc3o2)c(C)c1
InChIInChI=1S/C18H19NOS/c1-12-7-8-18(13(2)9-12)21-11-15(19)17-10-14-5-3-4-6-16(14)20-17/h3-10,15H,11,19H2,1-2H3
InChIKeyNVWTUJTUDYFGRS-UHFFFAOYSA-N
XLogP4.84
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
CID 64614485
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-(1-benzofuran-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650657
1-(1-benzofuran-2-yl)-2-(2,5-dimethylphenoxy)ethanamine
CID 43098131
1-(1-benzofuran-2-yl)-2-(4-methylphenyl)sulfinylethanamine
CID 64658863
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine
CID 64619551
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4-dimethylphenyl)ethanamine
CID 64650155
1-(1-benzofuran-2-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626110
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610673

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine (CID 64620131) is 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine is Cc1ccc(SCC(N)c2cc3ccccc3o2)c(C)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine?
The InChIKey is NVWTUJTUDYFGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12-7-8-18(13(2)9-12)21-11-15(19)17-10-14-5-3-4-6-16(14)20-17/h3-10,15H,11,19H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine?
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine has a molecular weight of 297.42 g/mol, XLogP of 4.84, 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-(2,4-dimethylphenyl)sulfanylethanamine is sourced from PubChem (CID 64620131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).