2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide

C15H23BrN2O3 — CID 63056502

IUPAC2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCOCCNCc1cc(Br)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C15H23BrN2O3/c1-11(2)18-15(19)10-21-14-5-4-13(16)8-12(14)9-17-6-7-20-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyKKJPTYNXIJLLCD-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.09
Rot. Bonds9

About 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide

2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 63056502) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID63056502
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Name2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCOCCNCc1cc(Br)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C15H23BrN2O3/c1-11(2)18-15(19)10-21-14-5-4-13(16)8-12(14)9-17-6-7-20-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyKKJPTYNXIJLLCD-UHFFFAOYSA-N
XLogP2.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053957
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63056501
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-tert-butylacetamide;hydrochloride
CID 17053956
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-prop-2-enylacetamide
CID 63058368
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-butan-2-ylacetamide
CID 43277522
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
2-[4-bromo-2-[(4-methylpentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 90484137
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
N-[[5-bromo-2-(2-methylsulfanylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 113473381
N-[(5-bromo-2-butan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 63057016
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide (CID 63056502) is 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide is COCCNCc1cc(Br)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is KKJPTYNXIJLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-11(2)18-15(19)10-21-14-5-4-13(16)8-12(14)9-17-6-7-20-3/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 359.26 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 63056502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).