N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine

C11H20BrF3N2O — CID 107488358

IUPACN-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCN1CCOC(CN(CCBr)CC(F)(F)F)C1
InChIInChI=1S/C11H20BrF3N2O/c1-2-16-5-6-18-10(7-16)8-17(4-3-12)9-11(13,14)15/h10H,2-9H2,1H3
InChIKeyJHFGROYVVLFKDB-UHFFFAOYSA-N
MW333.19 g/mol
LogP1.97
Rot. Bonds6

About N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine

N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 107488358) has the molecular formula C11H20BrF3N2O and a molecular weight of 333.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID107488358
Molecular FormulaC11H20BrF3N2O
Molecular Weight333.19 g/mol
Exact Mass332.07
IUPAC NameN-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCN1CCOC(CN(CCBr)CC(F)(F)F)C1
InChIInChI=1S/C11H20BrF3N2O/c1-2-16-5-6-18-10(7-16)8-17(4-3-12)9-11(13,14)15/h10H,2-9H2,1H3
InChIKeyJHFGROYVVLFKDB-UHFFFAOYSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylmorpholin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258676
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 80671513
N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79164190
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
CID 115666180
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171654
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 107488854
2,4-diethylmorpholine
CID 58988021
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylethenamine
CID 169213885
ethane;4-ethyl-2-(trifluoromethyl)morpholine
CID 178155697

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 107488358) is N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine is CCN1CCOC(CN(CCBr)CC(F)(F)F)C1.
What is the InChIKey of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is JHFGROYVVLFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrF3N2O/c1-2-16-5-6-18-10(7-16)8-17(4-3-12)9-11(13,14)15/h10H,2-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 333.19 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107488358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).