3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine

C15H15NOS — CID 54969673

IUPAC3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccccc1COCc1cccs1
InChIInChI=1S/C15H15NOS/c16-9-3-7-13-5-1-2-6-14(13)11-17-12-15-8-4-10-18-15/h1-2,4-6,8,10H,9,11-12,16H2
InChIKeyWBLHDLJDBOKBIQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.78
Rot. Bonds4

About 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine

3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine (PubChem CID 54969673) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
PubChem CID54969673
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccccc1COCc1cccs1
InChIInChI=1S/C15H15NOS/c16-9-3-7-13-5-1-2-6-14(13)11-17-12-15-8-4-10-18-15/h1-2,4-6,8,10H,9,11-12,16H2
InChIKeyWBLHDLJDBOKBIQ-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine (CID 54969673) is 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine is NCC#Cc1ccccc1COCc1cccs1.
What is the InChIKey of 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
The InChIKey is WBLHDLJDBOKBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c16-9-3-7-13-5-1-2-6-14(13)11-17-12-15-8-4-10-18-15/h1-2,4-6,8,10H,9,11-12,16H2.
What are the key properties of 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine?
3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine has a molecular weight of 257.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiophen-2-ylmethoxymethyl)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 54969673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).