N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

C13H19F3N2 — CID 796381

IUPACN,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-17(2)7-8-18(3)10-11-5-4-6-12(9-11)13(14,15)16/h4-6,9H,7-8,10H2,1-3H3
InChIKeyCEAMXUSRHDVQBW-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.70
Rot. Bonds5

About N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 796381) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID796381
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-17(2)7-8-18(3)10-11-5-4-6-12(9-11)13(14,15)16/h4-6,9H,7-8,10H2,1-3H3
InChIKeyCEAMXUSRHDVQBW-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (CID 796381) is N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is CN(C)CCN(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is CEAMXUSRHDVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-17(2)7-8-18(3)10-11-5-4-6-12(9-11)13(14,15)16/h4-6,9H,7-8,10H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 796381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).