2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine

C13H19F3N2 — CID 162505288

IUPAC2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCCCc1c(N)cc(C(F)(F)F)c(CCC)c1N
InChIInChI=1S/C13H19F3N2/c1-3-5-8-10(13(14,15)16)7-11(17)9(6-4-2)12(8)18/h7H,3-6,17-18H2,1-2H3
InChIKeyYDQNNBOOQQGFHT-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.77
Rot. Bonds4

About 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine

2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 162505288) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine
PubChem CID162505288
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCCCc1c(N)cc(C(F)(F)F)c(CCC)c1N
InChIInChI=1S/C13H19F3N2/c1-3-5-8-10(13(14,15)16)7-11(17)9(6-4-2)12(8)18/h7H,3-6,17-18H2,1-2H3
InChIKeyYDQNNBOOQQGFHT-UHFFFAOYSA-N
XLogP3.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine (CID 162505288) is 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine is CCCc1c(N)cc(C(F)(F)F)c(CCC)c1N.
What is the InChIKey of 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is YDQNNBOOQQGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-5-8-10(13(14,15)16)7-11(17)9(6-4-2)12(8)18/h7H,3-6,17-18H2,1-2H3.
What are the key properties of 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine?
2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipropyl-5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 162505288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).