N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine

C19H24F3N3 — CID 23395819

IUPACN',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H24F3N3/c1-3-25(4-2)12-11-23-14-18-10-7-16(13-24-18)15-5-8-17(9-6-15)19(20,21)22/h5-10,13,23H,3-4,11-12,14H2,1-2H3
InChIKeyXRVBHLLXMYOVBV-UHFFFAOYSA-N
MW351.42 g/mol
LogP4.20
Rot. Bonds8

About N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine

N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine (PubChem CID 23395819) has the molecular formula C19H24F3N3 and a molecular weight of 351.42 g/mol. Its IUPAC name is N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine
PubChem CID23395819
Molecular FormulaC19H24F3N3
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC NameN',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C19H24F3N3/c1-3-25(4-2)12-11-23-14-18-10-7-16(13-24-18)15-5-8-17(9-6-15)19(20,21)22/h5-10,13,23H,3-4,11-12,14H2,1-2H3
InChIKeyXRVBHLLXMYOVBV-UHFFFAOYSA-N
XLogP4.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine (CID 23395819) is N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccc(-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine?
The InChIKey is XRVBHLLXMYOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3/c1-3-25(4-2)12-11-23-14-18-10-7-16(13-24-18)15-5-8-17(9-6-15)19(20,21)22/h5-10,13,23H,3-4,11-12,14H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine has a molecular weight of 351.42 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 23395819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).