N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C17H23NOS — CID 81499013

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)(C)c1ccc(CNC2CCCc3occc32)s1
InChIInChI=1S/C17H23NOS/c1-17(2,3)16-8-7-12(20-16)11-18-14-5-4-6-15-13(14)9-10-19-15/h7-10,14,18H,4-6,11H2,1-3H3
InChIKeyHMTNRMODLKFOQV-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.81
Rot. Bonds3

About N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 81499013) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID81499013
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCC(C)(C)c1ccc(CNC2CCCc3occc32)s1
InChIInChI=1S/C17H23NOS/c1-17(2,3)16-8-7-12(20-16)11-18-14-5-4-6-15-13(14)9-10-19-15/h7-10,14,18H,4-6,11H2,1-3H3
InChIKeyHMTNRMODLKFOQV-UHFFFAOYSA-N
XLogP4.81
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 81499013) is N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CC(C)(C)c1ccc(CNC2CCCc3occc32)s1.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is HMTNRMODLKFOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-17(2,3)16-8-7-12(20-16)11-18-14-5-4-6-15-13(14)9-10-19-15/h7-10,14,18H,4-6,11H2,1-3H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 289.44 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 81499013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).