2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide

C18H22N2O — CID 43351837

IUPAC2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H22N2O/c1-18(2,3)14-8-6-9-15(11-14)21-12-13-7-4-5-10-16(13)17(19)20/h4-11H,12H2,1-3H3,(H3,19,20)
InChIKeyGVZOTTCGOBHBGI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.85
Rot. Bonds4

About 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide

2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide (PubChem CID 43351837) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
PubChem CID43351837
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H22N2O/c1-18(2,3)14-8-6-9-15(11-14)21-12-13-7-4-5-10-16(13)17(19)20/h4-11H,12H2,1-3H3,(H3,19,20)
InChIKeyGVZOTTCGOBHBGI-UHFFFAOYSA-N
XLogP3.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.85
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'}

Analyze 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
2-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzenecarboximidamide
CID 61398694
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
3-[(3-ethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118138
3-(3-tert-butylphenoxy)propanimidamide
CID 43351835
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118238
methyl 2-(3-tert-butylphenoxy)ethanimidate
CID 95444504
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
CID 61034967
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
CID 115489822
2-[3-[(2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 146264019

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide (CID 43351837) is 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1COc1cccc(C(C)(C)C)c1.
What is the InChIKey of 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide?
The InChIKey is GVZOTTCGOBHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)14-8-6-9-15(11-14)21-12-13-7-4-5-10-16(13)17(19)20/h4-11H,12H2,1-3H3,(H3,19,20).
What are the key properties of 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide?
2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide has a molecular weight of 282.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 43351837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).