2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide

C13H14N2OS — CID 43646216

IUPAC2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C13H14N2OS/c14-13(15)7-10-1-3-12(4-2-10)16-8-11-5-6-17-9-11/h1-6,9H,7-8H2,(H3,14,15)
InChIKeyVSWKHSJYUJPXKI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.81
Rot. Bonds5

About 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide

2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide (PubChem CID 43646216) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
PubChem CID43646216
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCc2ccsc2)cc1
InChIInChI=1S/C13H14N2OS/c14-13(15)7-10-1-3-12(4-2-10)16-8-11-5-6-17-9-11/h1-6,9H,7-8H2,(H3,14,15)
InChIKeyVSWKHSJYUJPXKI-UHFFFAOYSA-N
XLogP2.81
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-thiophen-3-ylethanimidamide
CID 122460781
2-[4-(pyridin-3-ylmethoxy)phenyl]ethanimidamide
CID 24696796
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
2-[4-[(2-bromophenyl)methoxy]phenyl]ethanimidamide
CID 24709746
2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 103038181
(Z)-3-imino-1-[4-[4-(thiophen-3-ylmethoxy)phenoxy]phenyl]prop-1-en-1-amine
CID 89395166
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanimidamide
CID 43332381
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
CID 65458060
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
CID 106453253

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide (CID 43646216) is 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OCc2ccsc2)cc1.
What is the InChIKey of 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide?
The InChIKey is VSWKHSJYUJPXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-13(15)7-10-1-3-12(4-2-10)16-8-11-5-6-17-9-11/h1-6,9H,7-8H2,(H3,14,15).
What are the key properties of 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide?
2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide has a molecular weight of 246.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-3-ylmethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 43646216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).