4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide

C17H20N2O2 — CID 61299043

IUPAC4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2cccc(C)c2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-3-5-16(13(12)2)21-11-10-20-15-8-6-14(7-9-15)17(18)19/h3-9H,10-11H2,1-2H3,(H3,18,19)
InChIKeyCFPGJANTCFVAKR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.05
Rot. Bonds6

About 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide

4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide (PubChem CID 61299043) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide
PubChem CID61299043
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2cccc(C)c2C)cc1
InChIInChI=1S/C17H20N2O2/c1-12-4-3-5-16(13(12)2)21-11-10-20-15-8-6-14(7-9-15)17(18)19/h3-9H,10-11H2,1-2H3,(H3,18,19)
InChIKeyCFPGJANTCFVAKR-UHFFFAOYSA-N
XLogP3.05
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.05
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

4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
4-[2-(2-ethylphenoxy)ethoxy]benzenecarboximidamide
CID 61300591
4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794906
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
3-chloro-4-[(2,3-dimethylphenoxy)methyl]benzenecarboximidamide
CID 102668113
4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
CID 81264863
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide (CID 61299043) is 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOc2cccc(C)c2C)cc1.
What is the InChIKey of 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide?
The InChIKey is CFPGJANTCFVAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-4-3-5-16(13(12)2)21-11-10-20-15-8-6-14(7-9-15)17(18)19/h3-9H,10-11H2,1-2H3,(H3,18,19).
What are the key properties of 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide?
4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61299043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).