1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine

C14H13F3N2 — CID 694780

IUPAC1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1NCc1ccccc1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)11-6-7-13(12(18)8-11)19-9-10-4-2-1-3-5-10/h1-8,19H,9,18H2
InChIKeyUAUSRDXUDXPKCZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.90
Rot. Bonds3

About 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine

1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 694780) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID694780
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine
SMILESNc1cc(C(F)(F)F)ccc1NCc1ccccc1
InChIInChI=1S/C14H13F3N2/c15-14(16,17)11-6-7-13(12(18)8-11)19-9-10-4-2-1-3-5-10/h1-8,19H,9,18H2
InChIKeyUAUSRDXUDXPKCZ-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.90
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 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine (CID 694780) is 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine is Nc1cc(C(F)(F)F)ccc1NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is UAUSRDXUDXPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)11-6-7-13(12(18)8-11)19-9-10-4-2-1-3-5-10/h1-8,19H,9,18H2.
What are the key properties of 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 266.27 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 694780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).