N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

C14H19NOS — CID 63981918

IUPACN-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cc2ccccc2o1
InChIInChI=1S/C14H19NOS/c1-11(10-17-2)8-15-9-13-7-12-5-3-4-6-14(12)16-13/h3-7,11,15H,8-10H2,1-2H3
InChIKeyIWCJLUOCCJGETQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.52
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 63981918) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID63981918
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1cc2ccccc2o1
InChIInChI=1S/C14H19NOS/c1-11(10-17-2)8-15-9-13-7-12-5-3-4-6-14(12)16-13/h3-7,11,15H,8-10H2,1-2H3
InChIKeyIWCJLUOCCJGETQ-UHFFFAOYSA-N
XLogP3.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
N-(1-benzofuran-2-ylmethyl)-2-cyclopropylpropan-1-amine
CID 115592636
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63967269
3-(1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 114733525
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
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(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 103685027
1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178945
2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]aniline
CID 66418078
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 63981918) is N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is IWCJLUOCCJGETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11(10-17-2)8-15-9-13-7-12-5-3-4-6-14(12)16-13/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63981918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).