1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine

C13H19F3N2 — CID 91134743

IUPAC1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine
SMILESCCCN(CCC)c1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C13H19F3N2/c1-3-7-18(8-4-2)10-5-6-11(12(17)9-10)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyNMJIBDJHYYEURW-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.91
Rot. Bonds5

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

1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 91134743) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine
PubChem CID91134743
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine
SMILESCCCN(CCC)c1ccc(C(F)(F)F)c(N)c1
InChIInChI=1S/C13H19F3N2/c1-3-7-18(8-4-2)10-5-6-11(12(17)9-10)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyNMJIBDJHYYEURW-UHFFFAOYSA-N
XLogP3.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
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 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine (CID 91134743) is 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine is CCCN(CCC)c1ccc(C(F)(F)F)c(N)c1.
What is the InChIKey of 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is NMJIBDJHYYEURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-7-18(8-4-2)10-5-6-11(12(17)9-10)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3.
What are the key properties of 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine?
1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 260.30 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 91134743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).