3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline

C15H19BrFN — CID 112743249

IUPAC3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NC(C2CCC2)C2CCC2)cc1Br
InChIInChI=1S/C15H19BrFN/c16-13-9-12(7-8-14(13)17)18-15(10-3-1-4-10)11-5-2-6-11/h7-11,15,18H,1-6H2
InChIKeyNPWHPSIGSRIKJV-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.97
Rot. Bonds4

About 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline

3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline (PubChem CID 112743249) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
PubChem CID112743249
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC Name3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline
SMILESFc1ccc(NC(C2CCC2)C2CCC2)cc1Br
InChIInChI=1S/C15H19BrFN/c16-13-9-12(7-8-14(13)17)18-15(10-3-1-4-10)11-5-2-6-11/h7-11,15,18H,1-6H2
InChIKeyNPWHPSIGSRIKJV-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(1-cyclohexylethyl)-4-fluoroaniline
CID 113451928
3-bromo-4-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 113451908
4-bromo-N-(dicyclopropylmethyl)-3-(trifluoromethyl)aniline
CID 43680432
3-bromo-4-fluoro-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 115929850
4-bromo-N-(dicyclopropylmethyl)-3-methylaniline
CID 43362754
3-bromo-N-(2,6-dimethylcyclohexyl)-4-fluoroaniline
CID 104776139
2-bromo-4-(dicyclopropylmethylamino)benzonitrile
CID 107276087
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
3-bromo-4-fluoro-N-pentan-3-ylaniline
CID 104776153
N-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 104776290
(R)-(3-bromo-4-fluorophenyl)-cyclobutylmethanamine
CID 130054470
N-(3-bromo-4-fluorophenyl)-1-(oxolan-2-yl)ethane-1,2-diamine
CID 104776377

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline?
The IUPAC name of 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline (CID 112743249) is 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline?
The canonical SMILES for 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline is Fc1ccc(NC(C2CCC2)C2CCC2)cc1Br.
What is the InChIKey of 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline?
The InChIKey is NPWHPSIGSRIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c16-13-9-12(7-8-14(13)17)18-15(10-3-1-4-10)11-5-2-6-11/h7-11,15,18H,1-6H2.
What are the key properties of 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline?
3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline has a molecular weight of 312.23 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[di(cyclobutyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 112743249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).