5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline

C13H15BrFN — CID 43555384

IUPAC5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline
SMILESFc1ccc(Br)cc1NC(C1CC1)C1CC1
InChIInChI=1S/C13H15BrFN/c14-10-5-6-11(15)12(7-10)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2
InChIKeyYYIRZYSNFOKOSA-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.19
Rot. Bonds4

About 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline

5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline (PubChem CID 43555384) has the molecular formula C13H15BrFN and a molecular weight of 284.17 g/mol. Its IUPAC name is 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline
PubChem CID43555384
Molecular FormulaC13H15BrFN
Molecular Weight284.17 g/mol
Exact Mass283.04
IUPAC Name5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline
SMILESFc1ccc(Br)cc1NC(C1CC1)C1CC1
InChIInChI=1S/C13H15BrFN/c14-10-5-6-11(15)12(7-10)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2
InChIKeyYYIRZYSNFOKOSA-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
1-(4-bromo-2-fluorophenyl)-N-(dicyclopropylmethyl)ethanamine
CID 82964118
4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
CID 106593664
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747
2-bromo-N-(dicyclopropylmethyl)aniline
CID 43362785
3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
CID 112743249
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
N-(dicyclopropylmethyl)-4-fluoro-2-iodoaniline
CID 79769128
5-bromo-2-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43555336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline?
The IUPAC name of 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline (CID 43555384) is 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline is Fc1ccc(Br)cc1NC(C1CC1)C1CC1.
What is the InChIKey of 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline?
The InChIKey is YYIRZYSNFOKOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN/c14-10-5-6-11(15)12(7-10)16-13(8-1-2-8)9-3-4-9/h5-9,13,16H,1-4H2.
What are the key properties of 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline?
5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline has a molecular weight of 284.17 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline is sourced from PubChem (CID 43555384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).