4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide

C17H20N2O — CID 114483679

IUPAC4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-4-5-12(2)16(8-11)20-10-15-7-6-14(17(18)19)9-13(15)3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyLPYGKEMHACSIDS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds4

About 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide

4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483679) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483679
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C17H20N2O/c1-11-4-5-12(2)16(8-11)20-10-15-7-6-14(17(18)19)9-13(15)3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyLPYGKEMHACSIDS-UHFFFAOYSA-N
XLogP3.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
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-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760
3-[(3,5-dimethylphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657148
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483691
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
4-[(4-bromo-2-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483738
4-[(2-bromo-5-fluorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483819
4-[(4-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483676
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
4-[(2,5-dimethylphenyl)methoxy]benzenecarboximidamide
CID 61481990
3-[(2-bromo-5-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657260
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
4-(2-ethylbutoxymethyl)-3-methylbenzenecarboximidamide
CID 114208390

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide (CID 114483679) is 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is LPYGKEMHACSIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-4-5-12(2)16(8-11)20-10-15-7-6-14(17(18)19)9-13(15)3/h4-9H,10H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide?
4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 268.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenoxy)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).