2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline

C14H18BrF3N2O — CID 115511910

IUPAC2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCOC2CCNCC2)c(Br)c1
InChIInChI=1S/C14H18BrF3N2O/c15-12-9-10(14(16,17)18)1-2-13(12)20-7-8-21-11-3-5-19-6-4-11/h1-2,9,11,19-20H,3-8H2
InChIKeyCFDVCTLAFMXVRJ-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.65
Rot. Bonds5

About 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline

2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline (PubChem CID 115511910) has the molecular formula C14H18BrF3N2O and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline
PubChem CID115511910
Molecular FormulaC14H18BrF3N2O
Molecular Weight367.21 g/mol
Exact Mass366.06
IUPAC Name2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCOC2CCNCC2)c(Br)c1
InChIInChI=1S/C14H18BrF3N2O/c15-12-9-10(14(16,17)18)1-2-13(12)20-7-8-21-11-3-5-19-6-4-11/h1-2,9,11,19-20H,3-8H2
InChIKeyCFDVCTLAFMXVRJ-UHFFFAOYSA-N
XLogP3.65
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-Bromo-4-(dimethylamino)phenyl]-morpholin-4-ylmethanethione
CID 685225
N-(2-Bromo-4-methylphenyl)-2-morpholinoacetamide
CID 856353
N-[(3-bromophenyl)methyl]-4-morpholin-4-ylaniline
CID 18531298
1-Amino-3-(2-bromo-4-methylanilino)propan-2-ol
CID 3095179
4-(2-Bromo-4-(trifluoromethyl)phenyl)morpholine
CID 18525884
1-[2-Bromo-4-(trifluoromethyl)phenyl]-2-ethenylpiperazine
CID 11602445
[4-[4-(Trifluoromethyl)phenyl]morpholin-2-yl]methanamine
CID 55101327
(4-Bromo-2-trifluoromethyl-phenyl)-(tetrahydro-pyran-4-yl)-amine
CID 59272914
1-(2-Bromo-4-(trifluoromethyl)phenyl)piperazine
CID 59564491
N-(3-morpholin-4-ylpropyl)-4-(trifluoromethyl)aniline
CID 62648260
Benzenamine, 2-bromo-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 67405904
(2S)-1-[2-bromo-4-(trifluoromethyl)phenyl]-2-ethenylpiperazine
CID 69512942

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline (CID 115511910) is 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCOC2CCNCC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline?
The InChIKey is CFDVCTLAFMXVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2O/c15-12-9-10(14(16,17)18)1-2-13(12)20-7-8-21-11-3-5-19-6-4-11/h1-2,9,11,19-20H,3-8H2.
What are the key properties of 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline?
2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline has a molecular weight of 367.21 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-piperidin-4-yloxyethyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115511910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).