ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate

C14H18BrNO3 — CID 63046576

IUPACethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-2-18-14(17)9-19-13-6-3-10(7-12(13)15)8-16-11-4-5-11/h3,6-7,11,16H,2,4-5,8-9H2,1H3
InChIKeyWORUFMMFJWIQDS-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.64
Rot. Bonds7

About ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate

ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate (PubChem CID 63046576) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
PubChem CID63046576
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Nameethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(CNC2CC2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-2-18-14(17)9-19-13-6-3-10(7-12(13)15)8-16-11-4-5-11/h3,6-7,11,16H,2,4-5,8-9H2,1H3
InChIKeyWORUFMMFJWIQDS-UHFFFAOYSA-N
XLogP2.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418
ethyl 2-[2-bromo-4-(ethylaminomethyl)phenoxy]acetate
CID 63047063
ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63046063
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
4-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 63046064
ethyl 4-[(3-bromo-4-chlorophenyl)methylamino]cyclohexane-1-carboxylate
CID 83232807
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
CID 60881875
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
N-[[3-bromo-4-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 83155824
N-[[3-bromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63046065
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate (CID 63046576) is ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate is CCOC(=O)COc1ccc(CNC2CC2)cc1Br.
What is the InChIKey of ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate?
The InChIKey is WORUFMMFJWIQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-2-18-14(17)9-19-13-6-3-10(7-12(13)15)8-16-11-4-5-11/h3,6-7,11,16H,2,4-5,8-9H2,1H3.
What are the key properties of ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate?
ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate has a molecular weight of 328.21 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]acetate is sourced from PubChem (CID 63046576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).