2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol

C12H15Br2NO2 — CID 107743238

IUPAC2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol
SMILESOCCOc1c(Br)cc(CNC2CC2)cc1Br
InChIInChI=1S/C12H15Br2NO2/c13-10-5-8(7-15-9-1-2-9)6-11(14)12(10)17-4-3-16/h5-6,9,15-16H,1-4,7H2
InChIKeyIFHZMTZVYXIQCM-UHFFFAOYSA-N
MW365.07 g/mol
LogP2.83
Rot. Bonds6

About 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol

2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol (PubChem CID 107743238) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol
PubChem CID107743238
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol
SMILESOCCOc1c(Br)cc(CNC2CC2)cc1Br
InChIInChI=1S/C12H15Br2NO2/c13-10-5-8(7-15-9-1-2-9)6-11(14)12(10)17-4-3-16/h5-6,9,15-16H,1-4,7H2
InChIKeyIFHZMTZVYXIQCM-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 107743136
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 107743568
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
N-[[3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 106437185
4-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62319975
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 107743553
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 107743597
ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
2-[2-bromo-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]-N-methylacetamide
CID 43622417
N-[(3,5-dibromo-4-pentan-3-yloxyphenyl)methyl]cyclopropanamine
CID 107743424
3-[2-bromo-4-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propane-1,2-diol
CID 82834671

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol?
The IUPAC name of 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol (CID 107743238) is 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol is OCCOc1c(Br)cc(CNC2CC2)cc1Br.
What is the InChIKey of 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol?
The InChIKey is IFHZMTZVYXIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c13-10-5-8(7-15-9-1-2-9)6-11(14)12(10)17-4-3-16/h5-6,9,15-16H,1-4,7H2.
What are the key properties of 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol?
2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol has a molecular weight of 365.07 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol is sourced from PubChem (CID 107743238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).