2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine

C16H25NOS — CID 10612725

IUPAC2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine
SMILESCCCSCC1(C)Cc2c(C)c(N)c(C)c(C)c2O1
InChIInChI=1S/C16H25NOS/c1-6-7-19-9-16(5)8-13-12(4)14(17)10(2)11(3)15(13)18-16/h6-9,17H2,1-5H3
InChIKeyKRFHCHJXOHGIJQ-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.03
Rot. Bonds4

About 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine

2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine (PubChem CID 10612725) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine
PubChem CID10612725
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine
SMILESCCCSCC1(C)Cc2c(C)c(N)c(C)c(C)c2O1
InChIInChI=1S/C16H25NOS/c1-6-7-19-9-16(5)8-13-12(4)14(17)10(2)11(3)15(13)18-16/h6-9,17H2,1-5H3
InChIKeyKRFHCHJXOHGIJQ-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10035862
2,2,6,7-tetramethyl-3H-1-benzofuran-4,5-diamine
CID 10488508
3-(4-Isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-amine
CID 10519978
5-Amino-2,2,4,6,7-pentamethyl-3-phenyl-2,3-dihydrobenzofuran
CID 10540798
2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10567186
2,2,4,6,7-pentamethyl-3-(4-pentylphenyl)-3H-1-benzofuran-5-amine
CID 10569970
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
2-(benzenesulfinylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10616365
2-(methoxymethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10633526
2-(benzylsulfanylmethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10639957
2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-1-benzofuran-5-amine
CID 10681821
2,2,4,6,7-Pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-amine
CID 10685309

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine?
The IUPAC name of 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine (CID 10612725) is 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine.
What is the SMILES notation for 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine?
The canonical SMILES for 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine is CCCSCC1(C)Cc2c(C)c(N)c(C)c(C)c2O1.
What is the InChIKey of 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine?
The InChIKey is KRFHCHJXOHGIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-6-7-19-9-16(5)8-13-12(4)14(17)10(2)11(3)15(13)18-16/h6-9,17H2,1-5H3.
What are the key properties of 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine?
2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine has a molecular weight of 279.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7-tetramethyl-2-(propylsulfanylmethyl)-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10612725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).