4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide

C13H18N2O3 — CID 81302635

IUPAC4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OC1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-16-10-2-3-11(13(14)15)12(8-10)18-9-4-6-17-7-5-9/h2-3,8-9H,4-7H2,1H3,(H3,14,15)
InChIKeyKRWDMODATWUNQQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds4

About 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide

4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide (PubChem CID 81302635) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
PubChem CID81302635
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OC1CCOCC1
InChIInChI=1S/C13H18N2O3/c1-16-10-2-3-11(13(14)15)12(8-10)18-9-4-6-17-7-5-9/h2-3,8-9H,4-7H2,1H3,(H3,14,15)
InChIKeyKRWDMODATWUNQQ-UHFFFAOYSA-N
XLogP1.54
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
1-[4-methoxy-2-(oxan-4-yloxy)phenyl]ethanone
CID 82001609
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
4-methoxy-2-octan-2-yloxybenzenecarboximidamide
CID 81303227

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide (CID 81302635) is 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OC1CCOCC1.
What is the InChIKey of 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
The InChIKey is KRWDMODATWUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-16-10-2-3-11(13(14)15)12(8-10)18-9-4-6-17-7-5-9/h2-3,8-9H,4-7H2,1H3,(H3,14,15).
What are the key properties of 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide?
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide is sourced from PubChem (CID 81302635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).