[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine

C10H11BrFN — CID 83720853

IUPAC[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2,6,13H2
InChIKeyXATXGRVNPKGPNY-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.58
Rot. Bonds2

About [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine

[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine (PubChem CID 83720853) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine
PubChem CID83720853
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine
SMILESNCC1(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2,6,13H2
InChIKeyXATXGRVNPKGPNY-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine (CID 83720853) is [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine is NCC1(c2cc(F)cc(Br)c2)CC1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine?
The InChIKey is XATXGRVNPKGPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2,6,13H2.
What are the key properties of [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine?
[1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine has a molecular weight of 244.11 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 83720853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).