3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

C13H20F3N3O — CID 175313584

IUPAC3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CC(CCN2CCOCC2)(C(F)(F)F)C(N)C=C1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)12(9-10(17)1-2-11(12)18)3-4-19-5-7-20-8-6-19/h1-2,9,11H,3-8,17-18H2
InChIKeyOQPPPLUTLQCPNV-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.00
Rot. Bonds3

About 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine

3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 175313584) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID175313584
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESNC1=CC(CCN2CCOCC2)(C(F)(F)F)C(N)C=C1
InChIInChI=1S/C13H20F3N3O/c14-13(15,16)12(9-10(17)1-2-11(12)18)3-4-19-5-7-20-8-6-19/h1-2,9,11H,3-8,17-18H2
InChIKeyOQPPPLUTLQCPNV-UHFFFAOYSA-N
XLogP1.00
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2,6-dibromo-4-hydroxy-4-(2-morpholin-4-ylethyl)cyclohexa-2,5-dien-1-one
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3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
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4-[2-(4,4-difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
CID 5478391
CID 5478391
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CID 98542176
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
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(1R,2S,6S,7S)-4-(2-morpholin-4-ylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6559550
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine (CID 175313584) is 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is NC1=CC(CCN2CCOCC2)(C(F)(F)F)C(N)C=C1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is OQPPPLUTLQCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c14-13(15,16)12(9-10(17)1-2-11(12)18)3-4-19-5-7-20-8-6-19/h1-2,9,11H,3-8,17-18H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine?
3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 291.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 175313584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).