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

C15H23F3N2 — CID 62256339

IUPACN-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCNCC(C)(CN(C)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H23F3N2/c1-4-19-10-14(2,13-8-6-5-7-9-13)11-20(3)12-15(16,17)18/h5-9,19H,4,10-12H2,1-3H3
InChIKeyKAUGCXZFHYDEFJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP3.05
Rot. Bonds7

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

N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 62256339) has the molecular formula C15H23F3N2 and a molecular weight of 288.36 g/mol. Its IUPAC name is N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID62256339
Molecular FormulaC15H23F3N2
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC NameN-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCNCC(C)(CN(C)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H23F3N2/c1-4-19-10-14(2,13-8-6-5-7-9-13)11-20(3)12-15(16,17)18/h5-9,19H,4,10-12H2,1-3H3
InChIKeyKAUGCXZFHYDEFJ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-N'-ethyl-N,2-dimethyl-2-phenylpropane-1,3-diamine
CID 63631647
N,N'-diethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62262898
N,N'-diethyl-2-methyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62261442
1-[ethyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]-2-methylpropan-2-ol
CID 79377198
N-cyclopropyl-N,N'-diethyl-2-methyl-2-phenylpropane-1,3-diamine
CID 62261792
N-(2,2-dimethylpropyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260878
N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62259863
2-[cyclobutyl-[3-(ethylamino)-2-methyl-2-phenylpropyl]amino]ethanol
CID 102871059
N-ethyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256691
N-cyclopropyl-N'-ethyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62262722
N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62263083
2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
CID 63482320

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 62256339) is N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCNCC(C)(CN(C)CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is KAUGCXZFHYDEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2/c1-4-19-10-14(2,13-8-6-5-7-9-13)11-20(3)12-15(16,17)18/h5-9,19H,4,10-12H2,1-3H3.
What are the key properties of N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 288.36 g/mol, XLogP of 3.05, 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-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 62256339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).