2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide

C14H20F3N3 — CID 43153708

IUPAC2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(CCC)CCC
InChIInChI=1S/C14H20F3N3/c1-3-7-20(8-4-2)12-6-5-10(14(15,16)17)9-11(12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H3,18,19)
InChIKeyDXZHBOFUYANDAY-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.62
Rot. Bonds6

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

2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43153708) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43153708
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(CCC)CCC
InChIInChI=1S/C14H20F3N3/c1-3-7-20(8-4-2)12-6-5-10(14(15,16)17)9-11(12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H3,18,19)
InChIKeyDXZHBOFUYANDAY-UHFFFAOYSA-N
XLogP3.62
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
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-(dipropylamino)benzenecarboximidamide
CID 28601050
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 82939570
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 63865694
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
2-pentoxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43275185
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
CID 55234106
5-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107930328
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
2-[cyclopropylmethyl(propyl)amino]-5-(trifluoromethyl)benzoic acid
CID 63514861

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide (CID 43153708) is 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(CCC)CCC.
What is the InChIKey of 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is DXZHBOFUYANDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-3-7-20(8-4-2)12-6-5-10(14(15,16)17)9-11(12)13(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H3,18,19).
What are the key properties of 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide?
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 287.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43153708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).