3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline

C15H19NOS — CID 43762015

IUPAC3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
SMILESCSCc1ccc(CNc2ccc(C)c(C)c2)o1
InChIInChI=1S/C15H19NOS/c1-11-4-5-13(8-12(11)2)16-9-14-6-7-15(17-14)10-18-3/h4-8,16H,9-10H2,1-3H3
InChIKeyMOEFRAXLIUQRCF-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.37
Rot. Bonds5

About 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline

3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline (PubChem CID 43762015) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
PubChem CID43762015
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
SMILESCSCc1ccc(CNc2ccc(C)c(C)c2)o1
InChIInChI=1S/C15H19NOS/c1-11-4-5-13(8-12(11)2)16-9-14-6-7-15(17-14)10-18-3/h4-8,16H,9-10H2,1-3H3
InChIKeyMOEFRAXLIUQRCF-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine
CID 115376649
4-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-nitroaniline
CID 43785550
3-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43755673
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-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
5-bromo-2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43787920
5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]isoindole-1,3-dione
CID 43766298
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1-benzothiophen-5-amine
CID 43781993
3-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4-propan-2-yloxyaniline
CID 43787429
[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
CID 84594625
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3-methylsulfonylaniline
CID 60923432

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline (CID 43762015) is 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline is CSCc1ccc(CNc2ccc(C)c(C)c2)o1.
What is the InChIKey of 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
The InChIKey is MOEFRAXLIUQRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-11-4-5-13(8-12(11)2)16-9-14-6-7-15(17-14)10-18-3/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline?
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline has a molecular weight of 261.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 43762015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).