3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline

C15H19BrF3N — CID 106662577

IUPAC3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19BrF3N/c1-9-7-14(2,3)8-13(9)20-12-5-10(15(17,18)19)4-11(16)6-12/h4-6,9,13,20H,7-8H2,1-3H3
InChIKeySUINUEUEULXPBQ-UHFFFAOYSA-N
MW350.22 g/mol
LogP5.70
Rot. Bonds2

About 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline

3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106662577) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106662577
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C15H19BrF3N/c1-9-7-14(2,3)8-13(9)20-12-5-10(15(17,18)19)4-11(16)6-12/h4-6,9,13,20H,7-8H2,1-3H3
InChIKeySUINUEUEULXPBQ-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.22
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662480
2-[3-bromo-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 65491811
3-bromo-N-(2,2-dimethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 79835004
3-bromo-N-cyclohexyl-5-(trifluoromethyl)aniline
CID 65491603
3-bromo-5-methoxy-N-(2,4,4-trimethylcyclohexyl)aniline
CID 82868173
N-[3-bromo-5-(trifluoromethyl)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81468484
5-bromo-2,4-difluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662857
3-bromo-N-(4-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 65491009
4-chloro-3-(trifluoromethyl)-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81303206
4-bromo-2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661766
3-bromo-N-cyclohex-2-en-1-yl-5-(trifluoromethyl)aniline
CID 107907161
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
CID 65491386

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106662577) is 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is SUINUEUEULXPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c1-9-7-14(2,3)8-13(9)20-12-5-10(15(17,18)19)4-11(16)6-12/h4-6,9,13,20H,7-8H2,1-3H3.
What are the key properties of 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 350.22 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(trifluoromethyl)-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106662577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).