2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine

C16H23NOS — CID 106701284

IUPAC2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCC1(CNC2c3ccccc3OC2(C)C)CCCS1
InChIInChI=1S/C16H23NOS/c1-15(2)14(12-7-4-5-8-13(12)18-15)17-11-16(3)9-6-10-19-16/h4-5,7-8,14,17H,6,9-11H2,1-3H3
InChIKeyJGMYPGMYNRRLMZ-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.77
Rot. Bonds3

About 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine

2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine (PubChem CID 106701284) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
PubChem CID106701284
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCC1(CNC2c3ccccc3OC2(C)C)CCCS1
InChIInChI=1S/C16H23NOS/c1-15(2)14(12-7-4-5-8-13(12)18-15)17-11-16(3)9-6-10-19-16/h4-5,7-8,14,17H,6,9-11H2,1-3H3
InChIKeyJGMYPGMYNRRLMZ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 80723040
N-(2-bromoprop-2-enyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701421
3-(2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]cyclobutan-1-amine
CID 80725303
2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-N-methylacetamide
CID 106700860
2-[[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]methyl]cyclopentan-1-ol
CID 106701232
N-(2-cyclohexyloxyethyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701163
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701083
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701414
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701037
1-methyl-4-[(2-methylthiolan-2-yl)methylamino]-3,4-dihydroquinolin-2-one
CID 80726722
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106701120
2,2-dimethyl-N-[(E)-pent-3-enyl]-3H-1-benzofuran-3-amine
CID 106701422

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine (CID 106701284) is 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine is CC1(CNC2c3ccccc3OC2(C)C)CCCS1.
What is the InChIKey of 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine?
The InChIKey is JGMYPGMYNRRLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-15(2)14(12-7-4-5-8-13(12)18-15)17-11-16(3)9-6-10-19-16/h4-5,7-8,14,17H,6,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine has a molecular weight of 277.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-methylthiolan-2-yl)methyl]-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).