N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

C18H21F3N4 — CID 45481704

IUPACN,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCCN(/N=N/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4/c1-24(2)12-7-13-25(23-22-16-9-4-3-5-10-16)17-11-6-8-15(14-17)18(19,20)21/h3-6,8-11,14H,7,12-13H2,1-2H3/b23-22+
InChIKeyLWSFGZMGUMXTFB-GHVJWSGMSA-N
MW350.39 g/mol
LogP5.16
Rot. Bonds7

About N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 45481704) has the molecular formula C18H21F3N4 and a molecular weight of 350.39 g/mol. Its IUPAC name is N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID45481704
Molecular FormulaC18H21F3N4
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC NameN,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCCN(/N=N/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H21F3N4/c1-24(2)12-7-13-25(23-22-16-9-4-3-5-10-16)17-11-6-8-15(14-17)18(19,20)21/h3-6,8-11,14H,7,12-13H2,1-2H3/b23-22+
InChIKeyLWSFGZMGUMXTFB-GHVJWSGMSA-N
XLogP5.16
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 45481704) is N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is CN(C)CCCN(/N=N/c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is LWSFGZMGUMXTFB-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H21F3N4/c1-24(2)12-7-13-25(23-22-16-9-4-3-5-10-16)17-11-6-8-15(14-17)18(19,20)21/h3-6,8-11,14H,7,12-13H2,1-2H3/b23-22+.
What are the key properties of N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 350.39 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-phenyldiazenyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 45481704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).