1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine

C11H14BrFN2 — CID 107591345

IUPAC1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(F)c(Br)cc1NC1CC(N)C1
InChIInChI=1S/C11H14BrFN2/c1-6-2-10(13)9(12)5-11(6)15-8-3-7(14)4-8/h2,5,7-8,15H,3-4,14H2,1H3
InChIKeyBVQJUHVACPJAQP-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.80
Rot. Bonds2

About 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine

1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine (PubChem CID 107591345) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine
PubChem CID107591345
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(F)c(Br)cc1NC1CC(N)C1
InChIInChI=1S/C11H14BrFN2/c1-6-2-10(13)9(12)5-11(6)15-8-3-7(14)4-8/h2,5,7-8,15H,3-4,14H2,1H3
InChIKeyBVQJUHVACPJAQP-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(5-bromo-2,4-difluorophenyl)cyclobutane-1,3-diamine
CID 102853239
4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline
CID 103439382
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
CID 80560844
5-bromo-4-fluoro-N-(3-methoxycyclohexyl)-2-methylaniline
CID 107591263
5-bromo-4-fluoro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 107591458
N-(5-bromo-4-fluoro-2-methylphenyl)oxepan-4-amine
CID 103271856
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
CID 116736273
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
5-bromo-N-(cyclobutylmethyl)-4-fluoro-2-methylaniline
CID 107591726
1-N-(3-fluoro-5-methylphenyl)cyclobutane-1,3-diamine
CID 80562430
N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 102852892

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine (CID 107591345) is 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine is Cc1cc(F)c(Br)cc1NC1CC(N)C1.
What is the InChIKey of 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine?
The InChIKey is BVQJUHVACPJAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-6-2-10(13)9(12)5-11(6)15-8-3-7(14)4-8/h2,5,7-8,15H,3-4,14H2,1H3.
What are the key properties of 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine?
1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine has a molecular weight of 273.15 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-4-fluoro-2-methylphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 107591345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).