(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine

C17H21NOS — CID 107293519

IUPAC(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)C(C)(C)CO3)sc1C
InChIInChI=1S/C17H21NOS/c1-10-7-15(20-11(10)2)16(18)12-5-6-14-13(8-12)17(3,4)9-19-14/h5-8,16H,9,18H2,1-4H3
InChIKeyBXPUBEKSQDGHAD-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.08
Rot. Bonds2

About (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine (PubChem CID 107293519) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
PubChem CID107293519
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)C(C)(C)CO3)sc1C
InChIInChI=1S/C17H21NOS/c1-10-7-15(20-11(10)2)16(18)12-5-6-14-13(8-12)17(3,4)9-19-14/h5-8,16H,9,18H2,1-4H3
InChIKeyBXPUBEKSQDGHAD-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293441
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-methylsulfanylphenyl)methanamine
CID 107293403
(5-chlorofuran-2-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293504
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-iodophenyl)methanamine
CID 107293573
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
CID 107293388
5-[bromo-(5-bromothiophen-2-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294466
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine (CID 107293519) is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine.
What is the SMILES notation for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The canonical SMILES for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine is Cc1cc(C(N)c2ccc3c(c2)C(C)(C)CO3)sc1C.
What is the InChIKey of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
The InChIKey is BXPUBEKSQDGHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-10-7-15(20-11(10)2)16(18)12-5-6-14-13(8-12)17(3,4)9-19-14/h5-8,16H,9,18H2,1-4H3.
What are the key properties of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine?
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine has a molecular weight of 287.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine is sourced from PubChem (CID 107293519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).