N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C16H18F3N3 — CID 4796542

IUPACN,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)C(CNc1ccc(C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C16H18F3N3/c1-22(2)14(12-6-4-3-5-7-12)11-21-15-9-8-13(10-20-15)16(17,18)19/h3-10,14H,11H2,1-2H3,(H,20,21)
InChIKeyNVJHCEJHMDWFNV-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.82
Rot. Bonds5

About N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 4796542) has the molecular formula C16H18F3N3 and a molecular weight of 309.34 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID4796542
Molecular FormulaC16H18F3N3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC NameN,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)C(CNc1ccc(C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C16H18F3N3/c1-22(2)14(12-6-4-3-5-7-12)11-21-15-9-8-13(10-20-15)16(17,18)19/h3-10,14H,11H2,1-2H3,(H,20,21)
InChIKeyNVJHCEJHMDWFNV-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 4796542) is N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is CN(C)C(CNc1ccc(C(F)(F)F)cn1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is NVJHCEJHMDWFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c1-22(2)14(12-6-4-3-5-7-12)11-21-15-9-8-13(10-20-15)16(17,18)19/h3-10,14H,11H2,1-2H3,(H,20,21).
What are the key properties of N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 309.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 4796542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).