N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine

C13H17BrFNO2 — CID 103228884

IUPACN-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H17BrFNO2/c1-17-8-13(7-16-11-2-3-11)18-12-5-9(14)4-10(15)6-12/h4-6,11,13,16H,2-3,7-8H2,1H3
InChIKeyRSDBITUARHVOMC-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.73
Rot. Bonds7

About N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine

N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine (PubChem CID 103228884) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
PubChem CID103228884
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC NameN-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)Oc1cc(F)cc(Br)c1
InChIInChI=1S/C13H17BrFNO2/c1-17-8-13(7-16-11-2-3-11)18-12-5-9(14)4-10(15)6-12/h4-6,11,13,16H,2-3,7-8H2,1H3
InChIKeyRSDBITUARHVOMC-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2-naphthalen-2-yloxypropyl)cyclopropanamine
CID 103228378
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
CID 62783803
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-[2-(2-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228211
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[2-(3-bromo-5-fluorophenoxy)ethyl]cycloheptanamine
CID 81326014
N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine
CID 103228977
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463
N-[[3-(3-bromo-5-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81331912
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 120966208

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine (CID 103228884) is N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine is COCC(CNC1CC1)Oc1cc(F)cc(Br)c1.
What is the InChIKey of N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
The InChIKey is RSDBITUARHVOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-17-8-13(7-16-11-2-3-11)18-12-5-9(14)4-10(15)6-12/h4-6,11,13,16H,2-3,7-8H2,1H3.
What are the key properties of N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine?
N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine has a molecular weight of 318.19 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine is sourced from PubChem (CID 103228884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).