4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide

C15H24N2O — CID 114208390

IUPAC4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(CC)CC)c(C)c1
InChIInChI=1S/C15H24N2O/c1-4-12(5-2)9-18-10-14-7-6-13(15(16)17)8-11(14)3/h6-8,12H,4-5,9-10H2,1-3H3,(H3,16,17)
InChIKeyKJRLSOICLKRYKR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.23
Rot. Bonds7

About 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide

4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide (PubChem CID 114208390) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
PubChem CID114208390
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(CC)CC)c(C)c1
InChIInChI=1S/C15H24N2O/c1-4-12(5-2)9-18-10-14-7-6-13(15(16)17)8-11(14)3/h6-8,12H,4-5,9-10H2,1-3H3,(H3,16,17)
InChIKeyKJRLSOICLKRYKR-UHFFFAOYSA-N
XLogP3.23
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483679
3-chloro-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 102668091
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
3-methyl-4-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 114484167
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483806
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-[(4,4-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483836
4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide (CID 114208390) is 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COCC(CC)CC)c(C)c1.
What is the InChIKey of 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide?
The InChIKey is KJRLSOICLKRYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(5-2)9-18-10-14-7-6-13(15(16)17)8-11(14)3/h6-8,12H,4-5,9-10H2,1-3H3,(H3,16,17).
What are the key properties of 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide?
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide has a molecular weight of 248.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114208390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).