2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride

C14H22BrClN2O3 — CID 17290905

IUPAC2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
SMILESCCCNCc1cc(Br)c(OCC(N)=O)c(OCC)c1.Cl
InChIInChI=1S/C14H21BrN2O3.ClH/c1-3-5-17-8-10-6-11(15)14(20-9-13(16)18)12(7-10)19-4-2;/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18);1H
InChIKeySAXCVJYSRJIJAO-UHFFFAOYSA-N
MW381.70 g/mol
LogP2.63
Rot. Bonds9

About 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride

2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride (PubChem CID 17290905) has the molecular formula C14H22BrClN2O3 and a molecular weight of 381.70 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
PubChem CID17290905
Molecular FormulaC14H22BrClN2O3
Molecular Weight381.70 g/mol
Exact Mass380.05
IUPAC Name2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
SMILESCCCNCc1cc(Br)c(OCC(N)=O)c(OCC)c1.Cl
InChIInChI=1S/C14H21BrN2O3.ClH/c1-3-5-17-8-10-6-11(15)14(20-9-13(16)18)12(7-10)19-4-2;/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18);1H
InChIKeySAXCVJYSRJIJAO-UHFFFAOYSA-N
XLogP2.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 52.63
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

3-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]propanamide
CID 43626960
2-[2-bromo-6-ethoxy-4-(methylaminomethyl)phenoxy]acetamide
CID 4716458
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
N-[[3-bromo-4-(2-bromoprop-2-enoxy)-5-ethoxyphenyl]methyl]propan-1-amine
CID 60889473
2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17291007
2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 653263
2-[5-bromo-2-ethoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 2240591
N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17055334
2-[2-bromo-6-ethoxy-4-[[2-(1-phenyltetrazol-5-yl)sulfanylethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17333267
2-[4-[(2-adamantylamino)methyl]-2-bromo-6-ethoxyphenoxy]acetamide
CID 4721754
2-[2-bromo-6-ethoxy-4-[(1-phenylbutylamino)methyl]phenoxy]acetamide
CID 17155901
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 43622360

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride (CID 17290905) is 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride is CCCNCc1cc(Br)c(OCC(N)=O)c(OCC)c1.Cl.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
The InChIKey is SAXCVJYSRJIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3.ClH/c1-3-5-17-8-10-6-11(15)14(20-9-13(16)18)12(7-10)19-4-2;/h6-7,17H,3-5,8-9H2,1-2H3,(H2,16,18);1H.
What are the key properties of 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride?
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride has a molecular weight of 381.70 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17290905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).