N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine

C14H21F3N2 — CID 796666

IUPACN'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-19(10-9-18(2)3)11-12-7-5-6-8-13(12)14(15,16)17/h5-8H,4,9-11H2,1-3H3
InChIKeyFSBHPOPCPZWZMH-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.09
Rot. Bonds6

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

N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (PubChem CID 796666) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
PubChem CID796666
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-19(10-9-18(2)3)11-12-7-5-6-8-13(12)14(15,16)17/h5-8H,4,9-11H2,1-3H3
InChIKeyFSBHPOPCPZWZMH-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine (CID 796666) is N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is CCN(CCN(C)C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
The InChIKey is FSBHPOPCPZWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-19(10-9-18(2)3)11-12-7-5-6-8-13(12)14(15,16)17/h5-8H,4,9-11H2,1-3H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 796666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).