3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine

C9H15NOS — CID 17206465

IUPAC3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cccs1
InChIInChI=1S/C9H15NOS/c1-11-6-3-5-10-8-9-4-2-7-12-9/h2,4,7,10H,3,5-6,8H2,1H3
InChIKeyYBIYAUMKCPNUAI-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.87
Rot. Bonds6

About 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine

3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 17206465) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID17206465
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCOCCCNCc1cccs1
InChIInChI=1S/C9H15NOS/c1-11-6-3-5-10-8-9-4-2-7-12-9/h2,4,7,10H,3,5-6,8H2,1H3
InChIKeyYBIYAUMKCPNUAI-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine (CID 17206465) is 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine is COCCCNCc1cccs1.
What is the InChIKey of 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is YBIYAUMKCPNUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-11-6-3-5-10-8-9-4-2-7-12-9/h2,4,7,10H,3,5-6,8H2,1H3.
What are the key properties of 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine?
3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 185.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 17206465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).