1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine

C14H19NS — CID 114378025

IUPAC1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2ccccc2c1C(C)(C)C
InChIInChI=1S/C14H19NS/c1-14(2,3)13-10-7-5-6-8-11(10)16-12(13)9-15-4/h5-8,15H,9H2,1-4H3
InChIKeyBIFMTTGGXQPUIQ-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.92
Rot. Bonds2

About 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine

1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 114378025) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID114378025
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2ccccc2c1C(C)(C)C
InChIInChI=1S/C14H19NS/c1-14(2,3)13-10-7-5-6-8-11(10)16-12(13)9-15-4/h5-8,15H,9H2,1-4H3
InChIKeyBIFMTTGGXQPUIQ-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine (CID 114378025) is 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1sc2ccccc2c1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is BIFMTTGGXQPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-14(2,3)13-10-7-5-6-8-11(10)16-12(13)9-15-4/h5-8,15H,9H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 233.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114378025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).