N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline

C16H15NOS — CID 29296067

IUPACN-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline
SMILESCSc1cccc(NCc2cc3ccccc3o2)c1
InChIInChI=1S/C16H15NOS/c1-19-15-7-4-6-13(10-15)17-11-14-9-12-5-2-3-8-16(12)18-14/h2-10,17H,11H2,1H3
InChIKeyYCXHLZHNMOYPLK-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.77
Rot. Bonds4

About N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline

N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline (PubChem CID 29296067) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline
PubChem CID29296067
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline
SMILESCSc1cccc(NCc2cc3ccccc3o2)c1
InChIInChI=1S/C16H15NOS/c1-19-15-7-4-6-13(10-15)17-11-14-9-12-5-2-3-8-16(12)18-14/h2-10,17H,11H2,1H3
InChIKeyYCXHLZHNMOYPLK-UHFFFAOYSA-N
XLogP4.77
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
N-(1-benzofuran-2-ylmethyl)-3-(difluoromethoxy)aniline
CID 43698651
N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 29037427
N-[(5-methyl-1-benzofuran-2-yl)methyl]aniline
CID 55013176
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7284197
N-(1-benzofuran-2-ylmethyl)furan-2-amine
CID 69320598
N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline
CID 115652470
N-[(3,4-dimethylphenyl)methyl]-3-methylsulfanylaniline
CID 43757314
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981918
3-methylsulfanyl-N-(2-phenylsulfanylethyl)aniline
CID 79212652
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780796

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline (CID 29296067) is N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline is CSc1cccc(NCc2cc3ccccc3o2)c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline?
The InChIKey is YCXHLZHNMOYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-19-15-7-4-6-13(10-15)17-11-14-9-12-5-2-3-8-16(12)18-14/h2-10,17H,11H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline?
N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline has a molecular weight of 269.37 g/mol, XLogP of 4.77, 4 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)-3-methylsulfanylaniline is sourced from PubChem (CID 29296067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).