N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine

C13H15BrFNO — CID 107688184

IUPACN-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine
SMILESC=C(Br)COc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C13H15BrFNO/c1-9(14)8-17-13-5-2-10(6-12(13)15)7-16-11-3-4-11/h2,5-6,11,16H,1,3-4,7-8H2
InChIKeyUNPHFOICLRGUDD-UHFFFAOYSA-N
MW300.17 g/mol
LogP3.37
Rot. Bonds6

About N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine

N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 107688184) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID107688184
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC NameN-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine
SMILESC=C(Br)COc1ccc(CNC2CC2)cc1F
InChIInChI=1S/C13H15BrFNO/c1-9(14)8-17-13-5-2-10(6-12(13)15)7-16-11-3-4-11/h2,5-6,11,16H,1,3-4,7-8H2
InChIKeyUNPHFOICLRGUDD-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
CID 107687996
N-[[4-(2-ethylbutoxy)-3-fluorophenyl]methyl]cyclopropanamine
CID 107688315
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 107688044
N-[[3-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 107688280
N-[[4-[(5-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 107688094
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
CID 130721910
[4-[[4-(difluoromethoxy)-3-fluorophenyl]methylamino]cyclohexyl]methanol
CID 109396354
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine (CID 107688184) is N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine is C=C(Br)COc1ccc(CNC2CC2)cc1F.
What is the InChIKey of N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is UNPHFOICLRGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-9(14)8-17-13-5-2-10(6-12(13)15)7-16-11-3-4-11/h2,5-6,11,16H,1,3-4,7-8H2.
What are the key properties of N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine?
N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 300.17 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromoprop-2-enoxy)-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107688184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).