N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine

C13H19F3N2 — CID 103366107

IUPACN'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(CN)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-2-18(9-11-6-4-3-5-7-11)10-12(8-17)13(14,15)16/h3-7,12H,2,8-10,17H2,1H3
InChIKeyHOOIBDNZUXZWFH-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.65
Rot. Bonds6

About N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine

N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366107) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366107
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(CN)C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-2-18(9-11-6-4-3-5-7-11)10-12(8-17)13(14,15)16/h3-7,12H,2,8-10,17H2,1H3
InChIKeyHOOIBDNZUXZWFH-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366167
N'-benzyl-N'-ethyl-2-phenylpropane-1,3-diamine
CID 43532152
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
3-[benzyl(ethyl)amino]-2,2-difluoropropan-1-ol
CID 143474045
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
(2S)-2-[(dibenzylamino)methyl]butan-1-ol
CID 102574363
N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
CID 122491448

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine (CID 103366107) is N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine is CCN(Cc1ccccc1)CC(CN)C(F)(F)F.
What is the InChIKey of N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is HOOIBDNZUXZWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-2-18(9-11-6-4-3-5-7-11)10-12(8-17)13(14,15)16/h3-7,12H,2,8-10,17H2,1H3.
What are the key properties of N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine?
N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-ethyl-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).