3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide

C15H17N3O — CID 43128901

IUPAC3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCCc2ccccn2)c1
InChIInChI=1S/C15H17N3O/c16-15(17)13-5-3-4-12(10-13)11-19-9-7-14-6-1-2-8-18-14/h1-6,8,10H,7,9,11H2,(H3,16,17)
InChIKeyIKLYEJBMHPVCPP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds6

About 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide

3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide (PubChem CID 43128901) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
PubChem CID43128901
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COCCc2ccccn2)c1
InChIInChI=1S/C15H17N3O/c16-15(17)13-5-3-4-12(10-13)11-19-9-7-14-6-1-2-8-18-14/h1-6,8,10H,7,9,11H2,(H3,16,17)
InChIKeyIKLYEJBMHPVCPP-UHFFFAOYSA-N
XLogP2.12
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
3-(2-pyridin-2-ylethoxymethyl)benzoic acid
CID 29006188
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
3-[(2-bromophenyl)methoxymethyl]benzenecarboximidamide
CID 82253918
2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
CID 43368929
3-[(4-bromophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253913
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
CID 82253720
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107712654
3-(thiophen-2-ylmethoxymethyl)benzenecarboximidamide
CID 54966719
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
The IUPAC name of 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide (CID 43128901) is 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
The canonical SMILES for 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(COCCc2ccccn2)c1.
What is the InChIKey of 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
The InChIKey is IKLYEJBMHPVCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-15(17)13-5-3-4-12(10-13)11-19-9-7-14-6-1-2-8-18-14/h1-6,8,10H,7,9,11H2,(H3,16,17).
What are the key properties of 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide?
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 43128901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).