N'-(5-chloro-2-methoxyphenyl)propanimidamide

C10H13ClN2O — CID 63178327

IUPACN'-(5-chloro-2-methoxyphenyl)propanimidamide
SMILESCC/C(N)=N\c1cc(Cl)ccc1OC
InChIInChI=1S/C10H13ClN2O/c1-3-10(12)13-8-6-7(11)4-5-9(8)14-2/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyMRWHYXIGEUSYMS-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.75
Rot. Bonds3

About N'-(5-chloro-2-methoxyphenyl)propanimidamide

N'-(5-chloro-2-methoxyphenyl)propanimidamide (PubChem CID 63178327) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)propanimidamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)propanimidamide
PubChem CID63178327
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN'-(5-chloro-2-methoxyphenyl)propanimidamide
SMILESCC/C(N)=N\c1cc(Cl)ccc1OC
InChIInChI=1S/C10H13ClN2O/c1-3-10(12)13-8-6-7(11)4-5-9(8)14-2/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyMRWHYXIGEUSYMS-UHFFFAOYSA-N
XLogP2.75
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.75
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-chloro-2-methoxy-5-methylphenyl)propanimidamide
CID 63174253
N'-(5-tert-butyl-2-methoxyphenyl)-2-chloroethanimidamide
CID 169369525
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
2-[(5-chloro-2-methoxyphenyl)methyl]guanidine
CID 82284451
2-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide
CID 169367879
N'-(4-bromo-3-methoxyphenyl)propanimidamide
CID 82859122
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N-methylbenzamide
CID 169366293
3-[(1-amino-2-chloroethylidene)amino]-4-methoxy-N,N-dimethylbenzamide
CID 169365940
3-[(1-amino-2-methoxyethylidene)amino]-4-methoxybenzoic acid
CID 154448738
2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
2-[2-(5-chloro-2-methoxyphenyl)ethyl]guanidine
CID 95447663

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)propanimidamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)propanimidamide (CID 63178327) is N'-(5-chloro-2-methoxyphenyl)propanimidamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)propanimidamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)propanimidamide is CC/C(N)=N\c1cc(Cl)ccc1OC.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)propanimidamide?
The InChIKey is MRWHYXIGEUSYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-10(12)13-8-6-7(11)4-5-9(8)14-2/h4-6H,3H2,1-2H3,(H2,12,13).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)propanimidamide?
N'-(5-chloro-2-methoxyphenyl)propanimidamide has a molecular weight of 212.68 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)propanimidamide is sourced from PubChem (CID 63178327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).