4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline

C15H19BrF3NO — CID 65484392

IUPAC4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCCOC1CCCCC1
InChIInChI=1S/C15H19BrF3NO/c16-11-6-7-14(13(10-11)15(17,18)19)20-8-9-21-12-4-2-1-3-5-12/h6-7,10,12,20H,1-5,8-9H2
InChIKeyYWLDQKYMBSKVHZ-UHFFFAOYSA-N
MW366.22 g/mol
LogP5.23
Rot. Bonds5

About 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline

4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline (PubChem CID 65484392) has the molecular formula C15H19BrF3NO and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
PubChem CID65484392
Molecular FormulaC15H19BrF3NO
Molecular Weight366.22 g/mol
Exact Mass365.06
IUPAC Name4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Br)ccc1NCCOC1CCCCC1
InChIInChI=1S/C15H19BrF3NO/c16-11-6-7-14(13(10-11)15(17,18)19)20-8-9-21-12-4-2-1-3-5-12/h6-7,10,12,20H,1-5,8-9H2
InChIKeyYWLDQKYMBSKVHZ-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.22
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
CID 107286281
2-bromo-N-(2-cyclohexyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511701
4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 63825845
2-bromo-N-(2-cyclopentyloxyethyl)-4-(trifluoromethyl)aniline
CID 115511700
4-bromo-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(trifluoromethyl)aniline
CID 112588802
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
4-bromo-N-(2-cyclohexyloxyethyl)-2-nitroaniline
CID 63828256
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-(trifluoromethyl)aniline
CID 106177582
4-bromo-N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 65483818
4-bromo-N-(4,4,4-trifluorobutyl)-2-(trifluoromethyl)aniline
CID 115513559
2-bromo-N-(2-cyclohexyloxyethyl)aniline
CID 55088144

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline (CID 65484392) is 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1cc(Br)ccc1NCCOC1CCCCC1.
What is the InChIKey of 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline?
The InChIKey is YWLDQKYMBSKVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO/c16-11-6-7-14(13(10-11)15(17,18)19)20-8-9-21-12-4-2-1-3-5-12/h6-7,10,12,20H,1-5,8-9H2.
What are the key properties of 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline?
4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline has a molecular weight of 366.22 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 65484392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).