2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine

C10H19F3N2O — CID 62966726

IUPAC2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
SMILESCC1CN(CCNCC(F)(F)F)CCCO1
InChIInChI=1S/C10H19F3N2O/c1-9-7-15(4-2-6-16-9)5-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyZDNMUAFOVUSHDZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine (PubChem CID 62966726) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
PubChem CID62966726
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
SMILESCC1CN(CCNCC(F)(F)F)CCCO1
InChIInChI=1S/C10H19F3N2O/c1-9-7-15(4-2-6-16-9)5-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyZDNMUAFOVUSHDZ-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
CID 62973749
N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine
CID 62967255
2-(2-methyl-1,4-oxazepan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62967779
2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine
CID 62555443
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62967083
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propanenitrile
CID 94906828
(2R)-1,1,1-trifluoro-3-[(2S)-2-methyl-1,4-oxazepan-4-yl]propan-2-ol
CID 129412710
N-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]aniline
CID 62966555
3-(2-methyl-1,4-oxazepan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 55153707

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine (CID 62966726) is 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine is CC1CN(CCNCC(F)(F)F)CCCO1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
The InChIKey is ZDNMUAFOVUSHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9-7-15(4-2-6-16-9)5-3-14-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine is sourced from PubChem (CID 62966726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).