2-butoxy-3-methylbenzenecarboximidamide

C12H18N2O — CID 107110644

IUPAC2-butoxy-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1OCCCC
InChIInChI=1S/C12H18N2O/c1-3-4-8-15-11-9(2)6-5-7-10(11)12(13)14/h5-7H,3-4,8H2,1-2H3,(H3,13,14)
InChIKeyXFJFNVDXRVPRHS-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.46
Rot. Bonds5

About 2-butoxy-3-methylbenzenecarboximidamide

2-butoxy-3-methylbenzenecarboximidamide (PubChem CID 107110644) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-butoxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-butoxy-3-methylbenzenecarboximidamide
PubChem CID107110644
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-butoxy-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1OCCCC
InChIInChI=1S/C12H18N2O/c1-3-4-8-15-11-9(2)6-5-7-10(11)12(13)14/h5-7H,3-4,8H2,1-2H3,(H3,13,14)
InChIKeyXFJFNVDXRVPRHS-UHFFFAOYSA-N
XLogP2.46
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 107110765
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-pentoxy-3-phenoxybenzenecarboximidamide
CID 154301739
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
4-butoxybenzenecarboximidamide
CID 3015454
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110642
2-heptoxy-3-methylbenzoic acid
CID 54560597
2-hexoxypyridine-3-carboximidamide
CID 29002899
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-decoxy-1,3-dimethylbenzene
CID 83057478

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-butoxy-3-methylbenzenecarboximidamide (CID 107110644) is 2-butoxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-butoxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-butoxy-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1OCCCC.
What is the InChIKey of 2-butoxy-3-methylbenzenecarboximidamide?
The InChIKey is XFJFNVDXRVPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-8-15-11-9(2)6-5-7-10(11)12(13)14/h5-7H,3-4,8H2,1-2H3,(H3,13,14).
What are the key properties of 2-butoxy-3-methylbenzenecarboximidamide?
2-butoxy-3-methylbenzenecarboximidamide has a molecular weight of 206.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).