N'-[4-(methoxymethyl)phenyl]propanimidamide

C11H16N2O — CID 130496375

IUPACN'-[4-(methoxymethyl)phenyl]propanimidamide
SMILESCC/C(N)=N\c1ccc(COC)cc1
InChIInChI=1S/C11H16N2O/c1-3-11(12)13-10-6-4-9(5-7-10)8-14-2/h4-7H,3,8H2,1-2H3,(H2,12,13)
InChIKeyFUWVJHYOVGLDPP-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.23
Rot. Bonds4

About N'-[4-(methoxymethyl)phenyl]propanimidamide

N'-[4-(methoxymethyl)phenyl]propanimidamide (PubChem CID 130496375) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N'-[4-(methoxymethyl)phenyl]propanimidamide.

Molecular Properties

Compound NameN'-[4-(methoxymethyl)phenyl]propanimidamide
PubChem CID130496375
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN'-[4-(methoxymethyl)phenyl]propanimidamide
SMILESCC/C(N)=N\c1ccc(COC)cc1
InChIInChI=1S/C11H16N2O/c1-3-11(12)13-10-6-4-9(5-7-10)8-14-2/h4-7H,3,8H2,1-2H3,(H2,12,13)
InChIKeyFUWVJHYOVGLDPP-UHFFFAOYSA-N
XLogP2.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
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'-(4-methoxyphenyl)propanimidamide
CID 63174454
N'-(4-phenylphenyl)propanimidamide
CID 63178783
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
N'-(4-bromo-3-methoxyphenyl)propanimidamide
CID 82859122
N'-thiophen-3-ylpropanimidamide
CID 66353374
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
2-chloro-N'-[4-[(4-methylphenyl)methoxy]phenyl]ethanimidamide
CID 169368212
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
N'-(3-fluoro-4-methylphenyl)propanimidamide
CID 63178981
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
N,N-dihydroxy-4-(methoxymethyl)aniline
CID 90693796
1-butyl-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111053813

Frequently Asked Questions

What is the IUPAC name of N'-[4-(methoxymethyl)phenyl]propanimidamide?
The IUPAC name of N'-[4-(methoxymethyl)phenyl]propanimidamide (CID 130496375) is N'-[4-(methoxymethyl)phenyl]propanimidamide.
What is the SMILES notation for N'-[4-(methoxymethyl)phenyl]propanimidamide?
The canonical SMILES for N'-[4-(methoxymethyl)phenyl]propanimidamide is CC/C(N)=N\c1ccc(COC)cc1.
What is the InChIKey of N'-[4-(methoxymethyl)phenyl]propanimidamide?
The InChIKey is FUWVJHYOVGLDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-11(12)13-10-6-4-9(5-7-10)8-14-2/h4-7H,3,8H2,1-2H3,(H2,12,13).
What are the key properties of N'-[4-(methoxymethyl)phenyl]propanimidamide?
N'-[4-(methoxymethyl)phenyl]propanimidamide has a molecular weight of 192.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(methoxymethyl)phenyl]propanimidamide is sourced from PubChem (CID 130496375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).