1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine

C10H15ClN4O2 — CID 116510657

IUPAC1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C10H15ClN4O2/c1-13-10(15-12)14-7-4-6(11)8(16-2)5-9(7)17-3/h4-5H,12H2,1-3H3,(H2,13,14,15)
InChIKeyIVPLHNFGNKRMKF-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.22
Rot. Bonds3

About 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine

1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine (PubChem CID 116510657) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine
PubChem CID116510657
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C10H15ClN4O2/c1-13-10(15-12)14-7-4-6(11)8(16-2)5-9(7)17-3/h4-5H,12H2,1-3H3,(H2,13,14,15)
InChIKeyIVPLHNFGNKRMKF-UHFFFAOYSA-N
XLogP1.22
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
1-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)thiourea
CID 19676032
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine
CID 62381438
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 2803499
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine (CID 116510657) is 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine is C/N=C(\NN)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine?
The InChIKey is IVPLHNFGNKRMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-13-10(15-12)14-7-4-6(11)8(16-2)5-9(7)17-3/h4-5H,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine?
1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine has a molecular weight of 258.71 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chloro-2,4-dimethoxyphenyl)-2-methylguanidine is sourced from PubChem (CID 116510657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).