2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol

C11H14BrNO2 — CID 167980774

IUPAC2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol
SMILESC=C(Br)CNc1cccc(OCCO)c1
InChIInChI=1S/C11H14BrNO2/c1-9(12)8-13-10-3-2-4-11(7-10)15-6-5-14/h2-4,7,13-14H,1,5-6,8H2
InChIKeyHTPSWXJRPPNJBC-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.38
Rot. Bonds6

About 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol

2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol (PubChem CID 167980774) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol
PubChem CID167980774
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol
SMILESC=C(Br)CNc1cccc(OCCO)c1
InChIInChI=1S/C11H14BrNO2/c1-9(12)8-13-10-3-2-4-11(7-10)15-6-5-14/h2-4,7,13-14H,1,5-6,8H2
InChIKeyHTPSWXJRPPNJBC-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-3-(2-methoxyethoxy)aniline
CID 167880606
N-(2-bromoprop-2-enyl)-4-propoxyaniline
CID 62328156
3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
CID 117097601
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826043
N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide
CID 89411116
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
3-(2-bromoprop-2-enoxy)phenol
CID 11790988
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol?
The IUPAC name of 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol (CID 167980774) is 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol.
What is the SMILES notation for 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol?
The canonical SMILES for 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol is C=C(Br)CNc1cccc(OCCO)c1.
What is the InChIKey of 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol?
The InChIKey is HTPSWXJRPPNJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-9(12)8-13-10-3-2-4-11(7-10)15-6-5-14/h2-4,7,13-14H,1,5-6,8H2.
What are the key properties of 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol?
2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol has a molecular weight of 272.14 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromoprop-2-enylamino)phenoxy]ethanol is sourced from PubChem (CID 167980774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).