N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H19NOS — CID 63992432

IUPACN-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1ccsc1C(C)NC1CCCc2occc21
InChIInChI=1S/C15H19NOS/c1-10-7-9-18-15(10)11(2)16-13-4-3-5-14-12(13)6-8-17-14/h6-9,11,13,16H,3-5H2,1-2H3
InChIKeyMQIMAPTZGJUHQE-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.38
Rot. Bonds3

About N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 63992432) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID63992432
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1ccsc1C(C)NC1CCCc2occc21
InChIInChI=1S/C15H19NOS/c1-10-7-9-18-15(10)11(2)16-13-4-3-5-14-12(13)6-8-17-14/h6-9,11,13,16H,3-5H2,1-2H3
InChIKeyMQIMAPTZGJUHQE-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 63992432) is N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Cc1ccsc1C(C)NC1CCCc2occc21.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is MQIMAPTZGJUHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-7-9-18-15(10)11(2)16-13-4-3-5-14-12(13)6-8-17-14/h6-9,11,13,16H,3-5H2,1-2H3.
What are the key properties of N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 261.39 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 63992432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).