2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine

C10H12F3N3 — CID 62381123

IUPAC2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
SMILESC/N=C(\N)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3/c1-6-3-4-7(16-9(14)15-2)5-8(6)10(11,12)13/h3-5H,1-2H3,(H3,14,15,16)
InChIKeyFAMVRKSTPNKTDH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.37
Rot. Bonds1

About 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine

2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine (PubChem CID 62381123) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
PubChem CID62381123
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
SMILESC/N=C(\N)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C10H12F3N3/c1-6-3-4-7(16-9(14)15-2)5-8(6)10(11,12)13/h3-5H,1-2H3,(H3,14,15,16)
InChIKeyFAMVRKSTPNKTDH-UHFFFAOYSA-N
XLogP2.37
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.37
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

[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273
1-(3-bromo-4-methylphenyl)-2-methylguanidine
CID 63334511
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylguanidine
CID 62378739
N-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 162568160
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
1-amino-2-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 116510520
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
[3,4-bis(trifluoromethyl)phenyl]carbamic acid
CID 91432072
(1E)-1-[amino-[3-nitro-4-(trifluoromethyl)anilino]methylidene]-2-methylguanidine
CID 21492902
1-(4-chlorophenyl)-2-methylguanidine
CID 20543496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine (CID 62381123) is 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine is C/N=C(\N)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine?
The InChIKey is FAMVRKSTPNKTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-6-3-4-7(16-9(14)15-2)5-8(6)10(11,12)13/h3-5H,1-2H3,(H3,14,15,16).
What are the key properties of 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine?
2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine has a molecular weight of 231.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 62381123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).