1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine

C10H14ClN3 — CID 130971871

IUPAC1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H14ClN3/c1-7-4-5-8(6-9(7)11)14-10(12-2)13-3/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyROJBECXERDMDPW-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.27
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine

1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine (PubChem CID 130971871) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine
PubChem CID130971871
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H14ClN3/c1-7-4-5-8(6-9(7)11)14-10(12-2)13-3/h4-6H,1-3H3,(H2,12,13,14)
InChIKeyROJBECXERDMDPW-UHFFFAOYSA-N
XLogP2.27
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
1-(3-chloro-4-methylphenyl)-3-(4-chloro-3-methylphenyl)thiourea
CID 53489424
1,2-bis(3-chloro-4-methylphenyl)guanidine
CID 45277877
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3-chloro-4-methylphenyl)-3-methylbut-2-enamide
CID 19177488
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine (CID 130971871) is 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine is C/N=C(\NC)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine?
The InChIKey is ROJBECXERDMDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-7-4-5-8(6-9(7)11)14-10(12-2)13-3/h4-6H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine?
1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine has a molecular weight of 211.70 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2,3-dimethylguanidine is sourced from PubChem (CID 130971871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).