(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

C10H15NOS — CID 83985487

IUPAC(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCOC1CCCc2sc(CN)cc21
InChIInChI=1S/C10H15NOS/c1-12-9-3-2-4-10-8(9)5-7(6-11)13-10/h5,9H,2-4,6,11H2,1H3
InChIKeyMFFDSEKMVCHPHZ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.23
Rot. Bonds2

About (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine

(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (PubChem CID 83985487) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
PubChem CID83985487
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
SMILESCOC1CCCc2sc(CN)cc21
InChIInChI=1S/C10H15NOS/c1-12-9-3-2-4-10-8(9)5-7(6-11)13-10/h5,9H,2-4,6,11H2,1H3
InChIKeyMFFDSEKMVCHPHZ-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine (CID 83985487) is (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is COC1CCCc2sc(CN)cc21.
What is the InChIKey of (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is MFFDSEKMVCHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-12-9-3-2-4-10-8(9)5-7(6-11)13-10/h5,9H,2-4,6,11H2,1H3.
What are the key properties of (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine?
(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 197.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 83985487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).