N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine

C15H23F3N2O — CID 79662487

IUPACN'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
SMILESCCN(Cc1ccccc1OC(F)(F)F)CC(C)(C)CN
InChIInChI=1S/C15H23F3N2O/c1-4-20(11-14(2,3)10-19)9-12-7-5-6-8-13(12)21-15(16,17)18/h5-8H,4,9-11,19H2,1-3H3
InChIKeyKFSLWGMMVJKSBR-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.39
Rot. Bonds7

About N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine (PubChem CID 79662487) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
PubChem CID79662487
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
SMILESCCN(Cc1ccccc1OC(F)(F)F)CC(C)(C)CN
InChIInChI=1S/C15H23F3N2O/c1-4-20(11-14(2,3)10-19)9-12-7-5-6-8-13(12)21-15(16,17)18/h5-8H,4,9-11,19H2,1-3H3
InChIKeyKFSLWGMMVJKSBR-UHFFFAOYSA-N
XLogP3.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine (CID 79662487) is N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine is CCN(Cc1ccccc1OC(F)(F)F)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine?
The InChIKey is KFSLWGMMVJKSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-4-20(11-14(2,3)10-19)9-12-7-5-6-8-13(12)21-15(16,17)18/h5-8H,4,9-11,19H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine has a molecular weight of 304.36 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 79662487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).