4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline

C12H15F3N2O — CID 59864213

IUPAC4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline
SMILESNc1ccc(CN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(16)2-1-9(11)8-17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChIKeyXJQAPCVYZHUIGD-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.12
Rot. Bonds2

About 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline

4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 59864213) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID59864213
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline
SMILESNc1ccc(CN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(16)2-1-9(11)8-17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2
InChIKeyXJQAPCVYZHUIGD-UHFFFAOYSA-N
XLogP2.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
4-(Morpholinomethyl)aniline
CID 776851
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
4-Morpholinobenzylamine
CID 2776458
AP-24592
CID 46838908
[3-Fluoro-4-(morpholin-4-yl)phenyl]methanamine
CID 11572017
3,3-difluoro-2-methyl-N-(4-methyl-3-(morpholinomethyl)phenyl)-2-(trifluoromethyl)butanamide
CID 45484728
2-Cyclohex-1-enyl-4-morpholin-4-ylmethyl-phenylamine
CID 58994529
(3-Morpholinophenyl)methylamine
CID 2795550
(3,5-Difluoro-4-(morpholin-4-yl)phenyl)methanamine
CID 22337573
(R)-1-(3-Morpholin-4-YL-phenyl)-ethylamine
CID 42551788
(S)-1-(3-morpholinophenyl)ethanamine
CID 42551790

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline (CID 59864213) is 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline is Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is XJQAPCVYZHUIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)11-7-10(16)2-1-9(11)8-17-3-5-18-6-4-17/h1-2,7H,3-6,8,16H2.
What are the key properties of 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline?
4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 260.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 59864213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).