2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine

C14H21F3N2 — CID 84748030

IUPAC2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine
SMILESCCN(CC)C(C)(N)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-19(5-2)13(3,18)10-11-8-6-7-9-12(11)14(15,16)17/h6-9H,4-5,10,18H2,1-3H3
InChIKeyZFEFYUZYLCVEFS-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.26
Rot. Bonds5

About 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine

2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine (PubChem CID 84748030) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine.

Molecular Properties

Compound Name2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine
PubChem CID84748030
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine
SMILESCCN(CC)C(C)(N)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-19(5-2)13(3,18)10-11-8-6-7-9-12(11)14(15,16)17/h6-9H,4-5,10,18H2,1-3H3
InChIKeyZFEFYUZYLCVEFS-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
propanenitrile;3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 163942227
2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine
CID 112739286
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[[2-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 151721030
1-(2-tert-butylphenyl)-2-methylpropan-2-amine
CID 84778784
2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride
CID 119924718

Frequently Asked Questions

What is the IUPAC name of 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine?
The IUPAC name of 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine (CID 84748030) is 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine.
What is the SMILES notation for 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine?
The canonical SMILES for 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine is CCN(CC)C(C)(N)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine?
The InChIKey is ZFEFYUZYLCVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-19(5-2)13(3,18)10-11-8-6-7-9-12(11)14(15,16)17/h6-9H,4-5,10,18H2,1-3H3.
What are the key properties of 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine?
2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine is sourced from PubChem (CID 84748030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).