2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine

C14H19NOS — CID 114222058

IUPAC2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)C(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C14H19NOS/c1-9-5-4-6-11-7-12(16-14(9)11)13(15)10(2)8-17-3/h4-7,10,13H,8,15H2,1-3H3
InChIKeyWJZKNRRCVADBCS-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.74
Rot. Bonds4

About 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine

2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 114222058) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
PubChem CID114222058
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)C(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C14H19NOS/c1-9-5-4-6-11-7-12(16-14(9)11)13(15)10(2)8-17-3/h4-7,10,13H,8,15H2,1-3H3
InChIKeyWJZKNRRCVADBCS-UHFFFAOYSA-N
XLogP3.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.74
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-(4-methylphenyl)sulfanylethanamine
CID 114729408
2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 107443765
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine (CID 114222058) is 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine is CSCC(C)C(N)c1cc2cccc(C)c2o1.
What is the InChIKey of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is WJZKNRRCVADBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-9-5-4-6-11-7-12(16-14(9)11)13(15)10(2)8-17-3/h4-7,10,13H,8,15H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine?
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 114222058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).