3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine

C16H22N2OS — CID 115376649

IUPAC3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine
SMILESCSCc1ccc(CNc2ccc(C)c(N(C)C)c2)o1
InChIInChI=1S/C16H22N2OS/c1-12-5-6-13(9-16(12)18(2)3)17-10-14-7-8-15(19-14)11-20-4/h5-9,17H,10-11H2,1-4H3
InChIKeyWXNZOSMZHQRZAT-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.13
Rot. Bonds6

About 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine (PubChem CID 115376649) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine
PubChem CID115376649
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine
SMILESCSCc1ccc(CNc2ccc(C)c(N(C)C)c2)o1
InChIInChI=1S/C16H22N2OS/c1-12-5-6-13(9-16(12)18(2)3)17-10-14-7-8-15(19-14)11-20-4/h5-9,17H,10-11H2,1-4H3
InChIKeyWXNZOSMZHQRZAT-UHFFFAOYSA-N
XLogP4.13
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine with MolForge

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Related Compounds

3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
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-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
CID 84594625
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-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine (CID 115376649) is 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine is CSCc1ccc(CNc2ccc(C)c(N(C)C)c2)o1.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine?
The InChIKey is WXNZOSMZHQRZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-5-6-13(9-16(12)18(2)3)17-10-14-7-8-15(19-14)11-20-4/h5-9,17H,10-11H2,1-4H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine has a molecular weight of 290.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]benzene-1,3-diamine is sourced from PubChem (CID 115376649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).