N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine

C13H17BrFNO — CID 114676931

IUPACN-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO/c1-2-11(8-16-10-4-5-10)17-13-7-9(14)3-6-12(13)15/h3,6-7,10-11,16H,2,4-5,8H2,1H3
InChIKeyBIVWBWDZRAQCRB-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.50
Rot. Bonds6

About N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine

N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine (PubChem CID 114676931) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
PubChem CID114676931
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC NameN-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)Oc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO/c1-2-11(8-16-10-4-5-10)17-13-7-9(14)3-6-12(13)15/h3,6-7,10-11,16H,2,4-5,8H2,1H3
InChIKeyBIVWBWDZRAQCRB-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromo-2-methylphenoxy)butyl]cyclopropanamine
CID 63216643
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(5-bromo-2-methylphenoxy)pentyl]cyclopropanamine
CID 107285996
N-[2-(2-chloro-4-methylphenoxy)butyl]cyclopropanamine
CID 62672229
N-[2-(4-chlorophenoxy)butyl]cyclopropanamine
CID 62454944
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228211
N-[2-(4-bromo-2-fluorophenoxy)propyl]cyclohexanamine
CID 55092968
N-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
CID 62451103
N-[2-(2-tert-butyl-4-ethylphenoxy)butyl]cyclopropanamine
CID 63491138

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine (CID 114676931) is N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine is CCC(CNC1CC1)Oc1cc(Br)ccc1F.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine?
The InChIKey is BIVWBWDZRAQCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-2-11(8-16-10-4-5-10)17-13-7-9(14)3-6-12(13)15/h3,6-7,10-11,16H,2,4-5,8H2,1H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine?
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine has a molecular weight of 302.19 g/mol, XLogP of 3.50, 6 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-fluorophenoxy)butyl]cyclopropanamine is sourced from PubChem (CID 114676931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).