3-butoxy-5-methoxybenzenecarboximidamide

C12H18N2O2 — CID 103567679

IUPAC3-butoxy-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCCC)c1
InChIInChI=1S/C12H18N2O2/c1-3-4-5-16-11-7-9(12(13)14)6-10(8-11)15-2/h6-8H,3-5H2,1-2H3,(H3,13,14)
InChIKeyZSEDBKYGRGXING-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.16
Rot. Bonds6

About 3-butoxy-5-methoxybenzenecarboximidamide

3-butoxy-5-methoxybenzenecarboximidamide (PubChem CID 103567679) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-butoxy-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-butoxy-5-methoxybenzenecarboximidamide
PubChem CID103567679
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-butoxy-5-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(OC)cc(OCCCC)c1
InChIInChI=1S/C12H18N2O2/c1-3-4-5-16-11-7-9(12(13)14)6-10(8-11)15-2/h6-8H,3-5H2,1-2H3,(H3,13,14)
InChIKeyZSEDBKYGRGXING-UHFFFAOYSA-N
XLogP2.16
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.16
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-methoxy-5-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 103567791
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
4-butoxybenzenecarboximidamide
CID 3015454
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
3-methoxy-5-pentan-2-yloxybenzenecarboximidamide
CID 107892959
4-octoxybenzenecarboximidamide
CID 3302492
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 103567669
3-heptoxy-5-methoxybenzenecarbothioamide
CID 103567277
3-methoxy-5-octoxybenzenecarbothioamide
CID 103567279
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
3-butoxy-5-methoxybenzoyl chloride
CID 88582217

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-5-methoxybenzenecarboximidamide?
The IUPAC name of 3-butoxy-5-methoxybenzenecarboximidamide (CID 103567679) is 3-butoxy-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-butoxy-5-methoxybenzenecarboximidamide?
The canonical SMILES for 3-butoxy-5-methoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(OC)cc(OCCCC)c1.
What is the InChIKey of 3-butoxy-5-methoxybenzenecarboximidamide?
The InChIKey is ZSEDBKYGRGXING-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-5-16-11-7-9(12(13)14)6-10(8-11)15-2/h6-8H,3-5H2,1-2H3,(H3,13,14).
What are the key properties of 3-butoxy-5-methoxybenzenecarboximidamide?
3-butoxy-5-methoxybenzenecarboximidamide has a molecular weight of 222.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 103567679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).