5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline

C16H21BrF3N — CID 107286207

IUPAC5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
SMILESCCC(Nc1cc(Br)ccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H21BrF3N/c1-2-14(11-6-4-3-5-7-11)21-15-10-12(17)8-9-13(15)16(18,19)20/h8-11,14,21H,2-7H2,1H3
InChIKeyPBYBOYWDAYUEQB-UHFFFAOYSA-N
MW364.25 g/mol
LogP6.24
Rot. Bonds4

About 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline

5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline (PubChem CID 107286207) has the molecular formula C16H21BrF3N and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
PubChem CID107286207
Molecular FormulaC16H21BrF3N
Molecular Weight364.25 g/mol
Exact Mass363.08
IUPAC Name5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
SMILESCCC(Nc1cc(Br)ccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H21BrF3N/c1-2-14(11-6-4-3-5-7-11)21-15-10-12(17)8-9-13(15)16(18,19)20/h8-11,14,21H,2-7H2,1H3
InChIKeyPBYBOYWDAYUEQB-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.25
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 63540889
4-bromo-2-(1-cyclohexylpropylamino)benzonitrile
CID 114901777
2,5-dibromo-N-(1-cyclopropylpropyl)aniline
CID 64919710
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
5-bromo-N-(4-methylhexan-2-yl)-2-(trifluoromethyl)aniline
CID 107286355
4-bromo-N-(1-cyclopropylbutan-2-yl)-2-(trifluoromethyl)aniline
CID 65484790
4-N-[5-bromo-2-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107286948
5-bromo-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)aniline
CID 107286281
1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
1-[4-bromo-2-(trifluoromethyl)phenyl]-1-cycloheptyl-N-methylmethanamine
CID 82932687
3-bromo-N-(1-cyclohexylpropyl)pyridin-4-amine
CID 104777009
2-[5-bromo-2-(trifluoromethyl)anilino]-1-cyclopropylethanol
CID 107286259

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline (CID 107286207) is 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline is CCC(Nc1cc(Br)ccc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
The InChIKey is PBYBOYWDAYUEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrF3N/c1-2-14(11-6-4-3-5-7-11)21-15-10-12(17)8-9-13(15)16(18,19)20/h8-11,14,21H,2-7H2,1H3.
What are the key properties of 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline has a molecular weight of 364.25 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 107286207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).