1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine

C18H19NOS — CID 114729408

IUPAC1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2cc3cccc(C)c3o2)cc1
InChIInChI=1S/C18H19NOS/c1-12-6-8-15(9-7-12)21-11-16(19)17-10-14-5-3-4-13(2)18(14)20-17/h3-10,16H,11,19H2,1-2H3
InChIKeySZEGWJFCVSRDAV-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.84
Rot. Bonds4

About 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine

1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 114729408) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
PubChem CID114729408
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2cc3cccc(C)c3o2)cc1
InChIInChI=1S/C18H19NOS/c1-12-6-8-15(9-7-12)21-11-16(19)17-10-14-5-3-4-13(2)18(14)20-17/h3-10,16H,11,19H2,1-2H3
InChIKeySZEGWJFCVSRDAV-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

2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228017
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine (CID 114729408) is 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine is Cc1ccc(SCC(N)c2cc3cccc(C)c3o2)cc1.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is SZEGWJFCVSRDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12-6-8-15(9-7-12)21-11-16(19)17-10-14-5-3-4-13(2)18(14)20-17/h3-10,16H,11,19H2,1-2H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine?
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)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-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 114729408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).