2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide

C18H22N2O — CID 61034967

IUPAC2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H22N2O/c1-12(2)14-9-8-13(3)17(10-14)21-11-15-6-4-5-7-16(15)18(19)20/h4-10,12H,11H2,1-3H3,(H3,19,20)
InChIKeyFFEYDYROJHTMMX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.98
Rot. Bonds5

About 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide

2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide (PubChem CID 61034967) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
PubChem CID61034967
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1cc(C(C)C)ccc1C
InChIInChI=1S/C18H22N2O/c1-12(2)14-9-8-13(3)17(10-14)21-11-15-6-4-5-7-16(15)18(19)20/h4-10,12H,11H2,1-3H3,(H3,19,20)
InChIKeyFFEYDYROJHTMMX-UHFFFAOYSA-N
XLogP3.98
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.98
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

3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 63525014
2-[(5-methyl-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030527
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
2,2-dimethyl-4-(2-methyl-5-propan-2-ylphenoxy)butanimidamide
CID 65251563
2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
CID 43351837
2-[(2-chloro-4-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030670
2,2-dimethyl-6-(2-methyl-5-propan-2-ylphenoxy)hexanimidamide
CID 106712401
2-fluoro-6-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 79517566
2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
CID 82132130

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide (CID 61034967) is 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1COc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide?
The InChIKey is FFEYDYROJHTMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)14-9-8-13(3)17(10-14)21-11-15-6-4-5-7-16(15)18(19)20/h4-10,12H,11H2,1-3H3,(H3,19,20).
What are the key properties of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide?
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide has a molecular weight of 282.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 61034967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).