5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide

C13H20N2O — CID 116827761

IUPAC5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-6-7-11(16-5)10(8-9)12(14)15-4/h6-8H,1-5H3,(H2,14,15)
InChIKeySLPWRCNROVGLSD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds2

About 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide

5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide (PubChem CID 116827761) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide
PubChem CID116827761
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-6-7-11(16-5)10(8-9)12(14)15-4/h6-8H,1-5H3,(H2,14,15)
InChIKeySLPWRCNROVGLSD-UHFFFAOYSA-N
XLogP2.33
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
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

2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
4-tert-butyl-2-[(Z)-2-(5-tert-butyl-2-hydroxyphenyl)-1,2-bis(5-tert-butyl-2-methoxyphenyl)ethenyl]phenol
CID 12990064
2,3-dichloro-4-methoxy-N'-methylbenzenecarboximidamide
CID 116827831
(1-aminocyclopropyl)-(5-tert-butyl-2-methoxyphenyl)methanone
CID 116924278
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
1-[4-(5-tert-butyl-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110761321
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide (CID 116827761) is 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide is C/N=C(\N)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide?
The InChIKey is SLPWRCNROVGLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)9-6-7-11(16-5)10(8-9)12(14)15-4/h6-8H,1-5H3,(H2,14,15).
What are the key properties of 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide?
5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide has a molecular weight of 220.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 116827761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).