4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline

C13H15BrF3NO — CID 103192838

IUPAC4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1cc(Br)ccc1NCC1CCCC1
InChIInChI=1S/C13H15BrF3NO/c14-10-5-6-11(12(7-10)19-13(15,16)17)18-8-9-3-1-2-4-9/h5-7,9,18H,1-4,8H2
InChIKeyBPVBMLLXJHQRIQ-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.95
Rot. Bonds4

About 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline

4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline (PubChem CID 103192838) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
PubChem CID103192838
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1cc(Br)ccc1NCC1CCCC1
InChIInChI=1S/C13H15BrF3NO/c14-10-5-6-11(12(7-10)19-13(15,16)17)18-8-9-3-1-2-4-9/h5-7,9,18H,1-4,8H2
InChIKeyBPVBMLLXJHQRIQ-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethoxy)aniline
CID 103192846
4-bromo-N-(oxolan-3-ylmethyl)-2-(trifluoromethoxy)aniline
CID 103192873
4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
CID 29052172
4-bromo-N-[2-(oxolan-2-yl)ethyl]-2-(trifluoromethoxy)aniline
CID 103193120
4-bromo-N-prop-2-ynyl-2-(trifluoromethoxy)aniline
CID 103192759
4-bromo-N-(3,3-dimethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192792
N-benzyl-4-bromo-2-(trifluoromethoxy)aniline
CID 103192753
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
4-bromo-N-(2,6-dimethylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 103192978
4-bromo-N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 103192902
4-bromo-N-[(4-fluorophenyl)methyl]-2-(trifluoromethoxy)aniline
CID 103193003
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline?
The IUPAC name of 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline (CID 103192838) is 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline is FC(F)(F)Oc1cc(Br)ccc1NCC1CCCC1.
What is the InChIKey of 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline?
The InChIKey is BPVBMLLXJHQRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c14-10-5-6-11(12(7-10)19-13(15,16)17)18-8-9-3-1-2-4-9/h5-7,9,18H,1-4,8H2.
What are the key properties of 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline?
4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline has a molecular weight of 338.17 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopentylmethyl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 103192838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).