2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride

C10H16ClN3O2 — CID 155435073

IUPAC2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
SMILESCOc1ccc(CN=C(N)N)c(OC)c1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-14-8-4-3-7(6-13-10(11)12)9(5-8)15-2;/h3-5H,6H2,1-2H3,(H4,11,12,13);1H
InChIKeyJUJNMCJOCJTOHR-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.90
Rot. Bonds4

About 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride

2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride (PubChem CID 155435073) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
PubChem CID155435073
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
SMILESCOc1ccc(CN=C(N)N)c(OC)c1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-14-8-4-3-7(6-13-10(11)12)9(5-8)15-2;/h3-5H,6H2,1-2H3,(H4,11,12,13);1H
InChIKeyJUJNMCJOCJTOHR-UHFFFAOYSA-N
XLogP0.90
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2,4-dimethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111022345
2-[(2,4-dimethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044248
2-[(2,4-dimethoxyphenyl)methyl]-1-hexylguanidine
CID 111044198
2-[(2,4-dimethoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111044199
1-amino-2-[(2,4-dimethoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
CID 116515230
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine
CID 111044222
2-[(5-chloro-2-methoxyphenyl)methyl]guanidine
CID 82284451
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111044221
(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 24721588
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride (CID 155435073) is 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride is COc1ccc(CN=C(N)N)c(OC)c1.Cl.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride?
The InChIKey is JUJNMCJOCJTOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-14-8-4-3-7(6-13-10(11)12)9(5-8)15-2;/h3-5H,6H2,1-2H3,(H4,11,12,13);1H.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride?
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride is sourced from PubChem (CID 155435073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).