2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine

C14H24F3N3O2 — CID 70118459

IUPAC2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
SMILESNCCOCCOCCN.NCc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3N.C6H16N2O2/c9-8(10,11)7-4-2-1-3-6(7)5-12;7-1-3-9-5-6-10-4-2-8/h1-4H,5,12H2;1-8H2
InChIKeyRKZZRQQDLTZNNQ-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.10
Rot. Bonds8

About 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine

2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 70118459) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
PubChem CID70118459
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
SMILESNCCOCCOCCN.NCc1ccccc1C(F)(F)F
InChIInChI=1S/C8H8F3N.C6H16N2O2/c9-8(10,11)7-4-2-1-3-6(7)5-12;7-1-3-9-5-6-10-4-2-8/h1-4H,5,12H2;1-8H2
InChIKeyRKZZRQQDLTZNNQ-UHFFFAOYSA-N
XLogP1.10
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631455
[2-phenyl-3-(trifluoromethyl)phenyl]methanamine
CID 46315138
[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631566
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356
[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 70700248
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 55242565
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine
CID 112739286
1-(3-methylbutoxymethyl)-2-(trifluoromethyl)benzene
CID 91723334

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine (CID 70118459) is 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine is NCCOCCOCCN.NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is RKZZRQQDLTZNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C6H16N2O2/c9-8(10,11)7-4-2-1-3-6(7)5-12;7-1-3-9-5-6-10-4-2-8/h1-4H,5,12H2;1-8H2.
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine?
2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 323.36 g/mol, XLogP of 1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 70118459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).