4-methoxy-N'-propan-2-ylbenzenecarboximidamide

C11H16N2O — CID 62048818

IUPAC4-methoxy-N'-propan-2-ylbenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/C(C)C)cc1
InChIInChI=1S/C11H16N2O/c1-8(2)13-11(12)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3,(H2,12,13)
InChIKeyYYBVTJFJXLAFPA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.81
Rot. Bonds3

About 4-methoxy-N'-propan-2-ylbenzenecarboximidamide

4-methoxy-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 62048818) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methoxy-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-N'-propan-2-ylbenzenecarboximidamide
PubChem CID62048818
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-methoxy-N'-propan-2-ylbenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/C(C)C)cc1
InChIInChI=1S/C11H16N2O/c1-8(2)13-11(12)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3,(H2,12,13)
InChIKeyYYBVTJFJXLAFPA-UHFFFAOYSA-N
XLogP1.81
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.81
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

N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
4-methoxy-N'-(2-methylpropyl)benzenecarboximidamide
CID 15258622
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
4-(furan-2-yl)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
CID 23083525
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
N-[amino-(4-methoxyphenyl)methylidene]-N'-(1-chloroethenyl)carbamimidoyl chloride
CID 173482787
[(E)-[amino-(4-methoxyphenyl)methylidene]amino] (2S)-2-(4-bromophenoxy)propanoate
CID 6343633

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 4-methoxy-N'-propan-2-ylbenzenecarboximidamide (CID 62048818) is 4-methoxy-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 4-methoxy-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 4-methoxy-N'-propan-2-ylbenzenecarboximidamide is COc1ccc(/C(N)=N/C(C)C)cc1.
What is the InChIKey of 4-methoxy-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is YYBVTJFJXLAFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)13-11(12)9-4-6-10(14-3)7-5-9/h4-8H,1-3H3,(H2,12,13).
What are the key properties of 4-methoxy-N'-propan-2-ylbenzenecarboximidamide?
4-methoxy-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 192.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 62048818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).