N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine

C13H18F3N3O2 — CID 83011127

IUPACN-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)21-12-4-2-1-3-10(12)11(9-17)18-19-5-7-20-8-6-19/h1-4,11,18H,5-9,17H2
InChIKeyLZFBFKXLJHOVKN-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.42
Rot. Bonds5

About N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine

N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 83011127) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID83011127
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)21-12-4-2-1-3-10(12)11(9-17)18-19-5-7-20-8-6-19/h1-4,11,18H,5-9,17H2
InChIKeyLZFBFKXLJHOVKN-UHFFFAOYSA-N
XLogP1.42
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011001
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83011227
N-[[2-(trifluoromethoxy)phenyl]methyl]morpholin-4-amine
CID 83009114
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83012265
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
CID 60973440
N-[1-(2-fluorophenyl)ethyl]morpholin-4-amine
CID 83009394
2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine
CID 83013680
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 83011127) is N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine is NCC(NN1CCOCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is LZFBFKXLJHOVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)21-12-4-2-1-3-10(12)11(9-17)18-19-5-7-20-8-6-19/h1-4,11,18H,5-9,17H2.
What are the key properties of N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 305.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 83011127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).