4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline

C14H15BrF3N — CID 43680432

IUPAC4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC(C2CC2)C2CC2)ccc1Br
InChIInChI=1S/C14H15BrF3N/c15-12-6-5-10(7-11(12)14(16,17)18)19-13(8-1-2-8)9-3-4-9/h5-9,13,19H,1-4H2
InChIKeyLBVCGYQSFWVBIH-UHFFFAOYSA-N
MW334.18 g/mol
LogP5.07
Rot. Bonds4

About 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline

4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 43680432) has the molecular formula C14H15BrF3N and a molecular weight of 334.18 g/mol. Its IUPAC name is 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
PubChem CID43680432
Molecular FormulaC14H15BrF3N
Molecular Weight334.18 g/mol
Exact Mass333.03
IUPAC Name4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NC(C2CC2)C2CC2)ccc1Br
InChIInChI=1S/C14H15BrF3N/c15-12-6-5-10(7-11(12)14(16,17)18)19-13(8-1-2-8)9-3-4-9/h5-9,13,19H,1-4H2
InChIKeyLBVCGYQSFWVBIH-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.18
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
CID 43362754
4-bromo-N-heptan-4-yl-3-(trifluoromethyl)aniline
CID 43680414
3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
CID 112743249
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
[4-bromo-3-(trifluoromethyl)anilino]-(4-methylanilino)methanol
CID 178016795
2-bromo-4-(dicyclopropylmethylamino)benzonitrile
CID 107276087
2-[4-bromo-3-(trifluoromethyl)anilino]propanamide
CID 60672750
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
4-bromo-N-(3-fluoropropyl)-3-(trifluoromethyl)aniline
CID 81106703
4-bromo-N-pent-1-yn-3-yl-3-(trifluoromethyl)aniline
CID 113482494
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 79540658
4-bromo-N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 64628921

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline (CID 43680432) is 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NC(C2CC2)C2CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is LBVCGYQSFWVBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3N/c15-12-6-5-10(7-11(12)14(16,17)18)19-13(8-1-2-8)9-3-4-9/h5-9,13,19H,1-4H2.
What are the key properties of 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline?
4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 334.18 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43680432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).