N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline

C14H18F6N2O2 — CID 135259065

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline
SMILESNCCOCCOCCNc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H18F6N2O2/c15-13(16,17)10-1-2-12(11(9-10)14(18,19)20)22-4-6-24-8-7-23-5-3-21/h1-2,9,22H,3-8,21H2
InChIKeyUUYOAUMHBWXTRF-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.13
Rot. Bonds9

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline (PubChem CID 135259065) has the molecular formula C14H18F6N2O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline
PubChem CID135259065
Molecular FormulaC14H18F6N2O2
Molecular Weight360.30 g/mol
Exact Mass360.13
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline
SMILESNCCOCCOCCNc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C14H18F6N2O2/c15-13(16,17)10-1-2-12(11(9-10)14(18,19)20)22-4-6-24-8-7-23-5-3-21/h1-2,9,22H,3-8,21H2
InChIKeyUUYOAUMHBWXTRF-UHFFFAOYSA-N
XLogP3.13
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
CID 14793683
tert-butyl N-[2-[2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethoxy]ethyl]carbamate
CID 102530973
2-bromo-N-[2-(2-chloroethoxy)ethyl]-4-(trifluoromethyl)aniline
CID 115512285
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 55242565
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
2-chloro-N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)aniline
CID 106452025
2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
CID 70118459
4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(trifluoromethyl)aniline
CID 112588802
2-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)aniline
CID 112589100
2-[2-(2-methylprop-2-enoxy)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 115698517
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-bromo-2-nitroaniline
CID 135259095

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline (CID 135259065) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline is NCCOCCOCCNc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline?
The InChIKey is UUYOAUMHBWXTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F6N2O2/c15-13(16,17)10-1-2-12(11(9-10)14(18,19)20)22-4-6-24-8-7-23-5-3-21/h1-2,9,22H,3-8,21H2.
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline has a molecular weight of 360.30 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,4-bis(trifluoromethyl)aniline is sourced from PubChem (CID 135259065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).