N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C16H25F3N2 — CID 63195807

IUPACN'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(C)(C)C(NC)c1ccccc1
InChIInChI=1S/C16H25F3N2/c1-5-21(12-16(17,18)19)11-15(2,3)14(20-4)13-9-7-6-8-10-13/h6-10,14,20H,5,11-12H2,1-4H3
InChIKeyJYNWODQKIJRVTI-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.86
Rot. Bonds7

About N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 63195807) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID63195807
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC NameN'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCN(CC(F)(F)F)CC(C)(C)C(NC)c1ccccc1
InChIInChI=1S/C16H25F3N2/c1-5-21(12-16(17,18)19)11-15(2,3)14(20-4)13-9-7-6-8-10-13/h6-10,14,20H,5,11-12H2,1-4H3
InChIKeyJYNWODQKIJRVTI-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 63195623
N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
CID 63699668
2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
CID 63193901
N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619451
5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol
CID 107204531
2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
CID 43481495
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
1-N-ethyl-2,2-dimethyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 66455583
1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 55055206
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 63195807) is N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC(F)(F)F)CC(C)(C)C(NC)c1ccccc1.
What is the InChIKey of N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is JYNWODQKIJRVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-5-21(12-16(17,18)19)11-15(2,3)14(20-4)13-9-7-6-8-10-13/h6-10,14,20H,5,11-12H2,1-4H3.
What are the key properties of N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 63195807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).