N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C11H15F3N2 — CID 16788367

IUPACN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,7,15H2,1-2H3
InChIKeyWSFINPCMQGMMKB-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.27
Rot. Bonds3

About N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 16788367) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID16788367
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCN(C)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,7,15H2,1-2H3
InChIKeyWSFINPCMQGMMKB-UHFFFAOYSA-N
XLogP2.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 16788367) is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CN(C)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is WSFINPCMQGMMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,7,15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 16788367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).