[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine

C10H10BrClFN — CID 117446810

IUPAC[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2c(Br)ccc(Cl)c2F)CC1
InChIInChI=1S/C10H10BrClFN/c11-6-1-2-7(12)9(13)8(6)10(5-14)3-4-10/h1-2H,3-5,14H2
InChIKeyQBQXBOXVMXMXLR-UHFFFAOYSA-N
MW278.55 g/mol
LogP3.23
Rot. Bonds2

About [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine

[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine (PubChem CID 117446810) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
PubChem CID117446810
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2c(Br)ccc(Cl)c2F)CC1
InChIInChI=1S/C10H10BrClFN/c11-6-1-2-7(12)9(13)8(6)10(5-14)3-4-10/h1-2H,3-5,14H2
InChIKeyQBQXBOXVMXMXLR-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
CID 84784370
2-[1-(aminomethyl)cyclohexyl]-4-chloro-3-fluorophenol
CID 117397913
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
CID 117343836
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 82802471
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine (CID 117446810) is [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine is NCC1(c2c(Br)ccc(Cl)c2F)CC1.
What is the InChIKey of [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine?
The InChIKey is QBQXBOXVMXMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-6-1-2-7(12)9(13)8(6)10(5-14)3-4-10/h1-2H,3-5,14H2.
What are the key properties of [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine?
[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine has a molecular weight of 278.55 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117446810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).