N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine

C20H25F3N2 — CID 143241854

IUPACN',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H25F3N2/c1-3-25(4-2)13-12-24-15-16-8-10-17(11-9-16)18-6-5-7-19(14-18)20(21,22)23/h5-11,14,24H,3-4,12-13,15H2,1-2H3
InChIKeyLZCBHLOQLJGYCW-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.80
Rot. Bonds8

About N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine

N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 143241854) has the molecular formula C20H25F3N2 and a molecular weight of 350.43 g/mol. Its IUPAC name is N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
PubChem CID143241854
Molecular FormulaC20H25F3N2
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H25F3N2/c1-3-25(4-2)13-12-24-15-16-8-10-17(11-9-16)18-6-5-7-19(14-18)20(21,22)23/h5-11,14,24H,3-4,12-13,15H2,1-2H3
InChIKeyLZCBHLOQLJGYCW-UHFFFAOYSA-N
XLogP4.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
CID 143241921
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
N',N'-diethyl-N-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]ethane-1,2-diamine
CID 23395819
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62587369
2-[2-[[4-(4-chlorophenyl)phenyl]methylamino]ethyl-ethylamino]ethanol
CID 23395727
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
1-[3-(diethylamino)propyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111267962

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine (CID 143241854) is N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is CCN(CC)CCNCc1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is LZCBHLOQLJGYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2/c1-3-25(4-2)13-12-24-15-16-8-10-17(11-9-16)18-6-5-7-19(14-18)20(21,22)23/h5-11,14,24H,3-4,12-13,15H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 350.43 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 143241854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).