N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine

C10H13F3N2 — CID 67641807

IUPACN'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c11-10(12,13)15(7-6-14)8-9-4-2-1-3-5-9/h1-5H,6-8,14H2
InChIKeySIAMLZLKUJFOQW-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.97
Rot. Bonds4

About N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine

N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine (PubChem CID 67641807) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine
PubChem CID67641807
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c11-10(12,13)15(7-6-14)8-9-4-2-1-3-5-9/h1-5H,6-8,14H2
InChIKeySIAMLZLKUJFOQW-UHFFFAOYSA-N
XLogP1.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-[benzyl(trifluoromethyl)amino]ethyl]-2-hydroxyacetamide
CID 162546886
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
bis(N,N-dibenzyl-1,1-difluoro-1-(2-fluorophenyl)methanamine);dihydrofluoride
CID 171928248
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N-(2-aminoethyl)-N-benzyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83048413
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
2-[[3-aminopropyl(benzyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 107367150
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
2-N-benzyl-2-N-(2-methoxyethyl)-2-methylpropane-1,2-diamine
CID 130979555
N'-[2-[2-aminoethyl(benzyl)amino]ethyl]ethane-1,2-diamine
CID 101461919

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine (CID 67641807) is N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine is NCCN(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine?
The InChIKey is SIAMLZLKUJFOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)15(7-6-14)8-9-4-2-1-3-5-9/h1-5H,6-8,14H2.
What are the key properties of N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine?
N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine has a molecular weight of 218.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(trifluoromethyl)ethane-1,2-diamine is sourced from PubChem (CID 67641807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).