N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

C16H24N2OS — CID 115985745

IUPACN-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)c1c(C)oc2ccccc12
InChIInChI=1S/C16H24N2OS/c1-11(10-20-4)18(3)14(9-17)16-12(2)19-15-8-6-5-7-13(15)16/h5-8,11,14H,9-10,17H2,1-4H3
InChIKeyAGEQLYOJSZGQOJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.42
Rot. Bonds6

About N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine

N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (PubChem CID 115985745) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
PubChem CID115985745
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
SMILESCSCC(C)N(C)C(CN)c1c(C)oc2ccccc12
InChIInChI=1S/C16H24N2OS/c1-11(10-20-4)18(3)14(9-17)16-12(2)19-15-8-6-5-7-13(15)16/h5-8,11,14H,9-10,17H2,1-4H3
InChIKeyAGEQLYOJSZGQOJ-UHFFFAOYSA-N
XLogP3.42
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine with MolForge

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Related Compounds

3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 114075583
(2R)-2-amino-2-(2-methyl-1-benzofuran-3-yl)ethanol
CID 130731754
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112657747
1-(4-chloro-3-fluorophenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658587
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 115985746
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
1-[2-(diethylamino)-1-benzofuran-3-yl]ethanol
CID 139831385
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
1-(5-bromo-2-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658610
2-methylsulfanyl-3-propan-2-yl-1-benzofuran
CID 143138070
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine (CID 115985745) is N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is CSCC(C)N(C)C(CN)c1c(C)oc2ccccc12.
What is the InChIKey of N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is AGEQLYOJSZGQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(10-20-4)18(3)14(9-17)16-12(2)19-15-8-6-5-7-13(15)16/h5-8,11,14H,9-10,17H2,1-4H3.
What are the key properties of N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine?
N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 292.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115985745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).