2-(4-methoxyphenyl)guanidine;hydrochloride

C8H12ClN3O — CID 22594132

IUPAC2-(4-methoxyphenyl)guanidine;hydrochloride
SMILESCOc1ccc(N=C(N)N)cc1.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-12-7-4-2-6(3-5-7)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H
InChIKeyDLEYULVIAMXWKA-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.02
Rot. Bonds2

About 2-(4-methoxyphenyl)guanidine;hydrochloride

2-(4-methoxyphenyl)guanidine;hydrochloride (PubChem CID 22594132) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)guanidine;hydrochloride
PubChem CID22594132
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-(4-methoxyphenyl)guanidine;hydrochloride
SMILESCOc1ccc(N=C(N)N)cc1.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-12-7-4-2-6(3-5-7)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H
InChIKeyDLEYULVIAMXWKA-UHFFFAOYSA-N
XLogP1.02
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.02
H-Bond Donors ≤ 52
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-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine
CID 3007922
4-(4-methoxyphenyl)sulfanylaniline;bis(2-[4-(4-methoxyphenyl)sulfanylphenyl]guanidine)
CID 157303720
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N-(4-methoxyphenyl)butan-2-imine
CID 15683591
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
azane;2-(4-methylphenyl)guanidine
CID 172751004
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
CID 52944141
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)guanidine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)guanidine;hydrochloride (CID 22594132) is 2-(4-methoxyphenyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)guanidine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)guanidine;hydrochloride is COc1ccc(N=C(N)N)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)guanidine;hydrochloride?
The InChIKey is DLEYULVIAMXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c1-12-7-4-2-6(3-5-7)11-8(9)10;/h2-5H,1H3,(H4,9,10,11);1H.
What are the key properties of 2-(4-methoxyphenyl)guanidine;hydrochloride?
2-(4-methoxyphenyl)guanidine;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)guanidine;hydrochloride is sourced from PubChem (CID 22594132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).