1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C17H21NOS — CID 107293637

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)c1sccc1C
InChIInChI=1S/C17H21NOS/c1-11-7-8-20-16(11)15(18-4)12-5-6-14-13(9-12)17(2,3)10-19-14/h5-9,15,18H,10H2,1-4H3
InChIKeyORBBKRDEWVFLTA-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds3

About 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 107293637) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID107293637
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)c1sccc1C
InChIInChI=1S/C17H21NOS/c1-11-7-8-20-16(11)15(18-4)12-5-6-14-13(9-12)17(2,3)10-19-14/h5-9,15,18H,10H2,1-4H3
InChIKeyORBBKRDEWVFLTA-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 107293623
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 107293669
1-(4-tert-butylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484390
3-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 116951934
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N,3-dimethylpentan-1-amine
CID 107293609
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 107293519
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
N-methyl-1-(2-methylquinolin-6-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 105020873
N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 55006914
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 107293682
N-methyl-1-(3-methylthiophen-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 43485510
N-methyl-1-(4-methylsulfonylphenyl)-1-(3-methylthiophen-2-yl)methanamine
CID 55007057

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 107293637) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CNC(c1ccc2c(c1)C(C)(C)CO2)c1sccc1C.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is ORBBKRDEWVFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-11-7-8-20-16(11)15(18-4)12-5-6-14-13(9-12)17(2,3)10-19-14/h5-9,15,18H,10H2,1-4H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 287.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 107293637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).