N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine

C11H12BrF2NO — CID 107100647

IUPACN-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cc(Br)cc(OCCNC2CC2)c1F
InChIInChI=1S/C11H12BrF2NO/c12-7-5-9(13)11(14)10(6-7)16-4-3-15-8-1-2-8/h5-6,8,15H,1-4H2
InChIKeyAIECBUGVRIIFAT-UHFFFAOYSA-N
MW292.12 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine

N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine (PubChem CID 107100647) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine
PubChem CID107100647
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cc(Br)cc(OCCNC2CC2)c1F
InChIInChI=1S/C11H12BrF2NO/c12-7-5-9(13)11(14)10(6-7)16-4-3-15-8-1-2-8/h5-6,8,15H,1-4H2
InChIKeyAIECBUGVRIIFAT-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
CID 107101679
1-(5-bromo-2,3-difluorophenoxy)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 107097942
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
CID 55077009
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107101510
N-[3-(5-bromo-2,3-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 107101304
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-3-fluoroaniline
CID 107101708
5-bromo-1,2-difluoro-3-(3,3,3-trifluoropropoxy)benzene
CID 107098938
4-(5-bromo-2,3-difluorophenoxy)butane-1-thiol
CID 107102524
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
5-bromo-1-but-3-ynoxy-2,3-difluorobenzene
CID 107098780

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine (CID 107100647) is N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine is Fc1cc(Br)cc(OCCNC2CC2)c1F.
What is the InChIKey of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine?
The InChIKey is AIECBUGVRIIFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-7-5-9(13)11(14)10(6-7)16-4-3-15-8-1-2-8/h5-6,8,15H,1-4H2.
What are the key properties of N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine?
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine has a molecular weight of 292.12 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 107100647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).