2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride

C12H18BrClN2O3 — CID 17053771

IUPAC2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(O)CNCc1cc(Br)ccc1OCC(N)=O.Cl
InChIInChI=1S/C12H17BrN2O3.ClH/c1-8(16)5-15-6-9-4-10(13)2-3-11(9)18-7-12(14)17;/h2-4,8,15-16H,5-7H2,1H3,(H2,14,17);1H
InChIKeyNFRROHAHWCGAES-UHFFFAOYSA-N
MW353.64 g/mol
LogP1.21
Rot. Bonds7

About 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride

2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17053771) has the molecular formula C12H18BrClN2O3 and a molecular weight of 353.64 g/mol. Its IUPAC name is 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17053771
Molecular FormulaC12H18BrClN2O3
Molecular Weight353.64 g/mol
Exact Mass352.02
IUPAC Name2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCC(O)CNCc1cc(Br)ccc1OCC(N)=O.Cl
InChIInChI=1S/C12H17BrN2O3.ClH/c1-8(16)5-15-6-9-4-10(13)2-3-11(9)18-7-12(14)17;/h2-4,8,15-16H,5-7H2,1H3,(H2,14,17);1H
InChIKeyNFRROHAHWCGAES-UHFFFAOYSA-N
XLogP1.21
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-[4-bromo-2-[(4-methylpentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 90484137
2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053783
2-[4-bromo-2-[(3-ethoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053775
(2R)-1-[(5-bromo-2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996904
2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide
CID 17053825
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053907
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63057512
2-[4-bromo-2-[(furan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 6472928
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 973105
2-[1-[(2-hydroxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053529

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17053771) is 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride is CC(O)CNCc1cc(Br)ccc1OCC(N)=O.Cl.
What is the InChIKey of 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is NFRROHAHWCGAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3.ClH/c1-8(16)5-15-6-9-4-10(13)2-3-11(9)18-7-12(14)17;/h2-4,8,15-16H,5-7H2,1H3,(H2,14,17);1H.
What are the key properties of 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 353.64 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17053771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).