3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide

C17H21N3O — CID 62894740

IUPAC3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H21N3O/c1-17(2,3)13-8-4-5-9-14(13)21-11-12-7-6-10-20-15(12)16(18)19/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyFMIAYSBQJRBCMX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.24
Rot. Bonds4

About 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide

3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 62894740) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
PubChem CID62894740
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1COc1ccccc1C(C)(C)C
InChIInChI=1S/C17H21N3O/c1-17(2,3)13-8-4-5-9-14(13)21-11-12-7-6-10-20-15(12)16(18)19/h4-10H,11H2,1-3H3,(H3,18,19)
InChIKeyFMIAYSBQJRBCMX-UHFFFAOYSA-N
XLogP3.24
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromophenoxy)methyl]pyridine-2-carboximidamide
CID 62893374
3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
CID 62683206
3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894235
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-[[4-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 62893556
3-[(4-bromo-2-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 55161907
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728
3-[(4-ethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62895772
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 107724715
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894239

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide (CID 62894740) is 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1COc1ccccc1C(C)(C)C.
What is the InChIKey of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is FMIAYSBQJRBCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)13-8-4-5-9-14(13)21-11-12-7-6-10-20-15(12)16(18)19/h4-10H,11H2,1-3H3,(H3,18,19).
What are the key properties of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide?
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 283.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62894740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).