3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline

C14H17NOS — CID 43755673

IUPAC3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
SMILESCSCc1ccc(CNc2cccc(C)c2)o1
InChIInChI=1S/C14H17NOS/c1-11-4-3-5-12(8-11)15-9-13-6-7-14(16-13)10-17-2/h3-8,15H,9-10H2,1-2H3
InChIKeyXWGBNIIJBSEAOS-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.06
Rot. Bonds5

About 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline

3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline (PubChem CID 43755673) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
PubChem CID43755673
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
SMILESCSCc1ccc(CNc2cccc(C)c2)o1
InChIInChI=1S/C14H17NOS/c1-11-4-3-5-12(8-11)15-9-13-6-7-14(16-13)10-17-2/h3-8,15H,9-10H2,1-2H3
InChIKeyXWGBNIIJBSEAOS-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-methylsulfonylaniline
CID 60923432
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 43766190
2-bromo-5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 82761059
4-bromo-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762796
3,5-difluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43765070
3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine
CID 115376649
(1S)-1-(3-methylphenyl)-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]ethanamine
CID 81364045
4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitroaniline
CID 43785550
5-bromo-2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43787920
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-benzothiophen-5-amine
CID 43781993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline (CID 43755673) is 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline is CSCc1ccc(CNc2cccc(C)c2)o1.
What is the InChIKey of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
The InChIKey is XWGBNIIJBSEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-4-3-5-12(8-11)15-9-13-6-7-14(16-13)10-17-2/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline has a molecular weight of 247.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 43755673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).