2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide

C10H12F3N3 — CID 62201411

IUPAC2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1NCC
InChIInChI=1S/C10H12F3N3/c1-2-16-8-4-3-6(10(11,12)13)5-7(8)9(14)15/h3-5,16H,2H2,1H3,(H3,14,15)
InChIKeyDENGTKDYKKLDFN-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.42
Rot. Bonds3

About 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide

2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 62201411) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID62201411
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1NCC
InChIInChI=1S/C10H12F3N3/c1-2-16-8-4-3-6(10(11,12)13)5-7(8)9(14)15/h3-5,16H,2H2,1H3,(H3,14,15)
InChIKeyDENGTKDYKKLDFN-UHFFFAOYSA-N
XLogP2.42
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.42
H-Bond Donors ≤ 53
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-(2-methoxypropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 102698430
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
ethyl 2-[2-carbamothioyl-4-(trifluoromethyl)anilino]acetate
CID 60810513
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
CID 62664652
3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide
CID 70106435
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
2-(2,2,3,3-tetrafluoropropylamino)-5-(trifluoromethyl)benzenecarbothioamide
CID 106292938

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide (CID 62201411) is 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1NCC.
What is the InChIKey of 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is DENGTKDYKKLDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-2-16-8-4-3-6(10(11,12)13)5-7(8)9(14)15/h3-5,16H,2H2,1H3,(H3,14,15).
What are the key properties of 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide?
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 231.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 62201411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).