2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride

C15H24BrClN2O3 — CID 17291007

IUPAC2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCCCNCc1cc(Br)c(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C15H23BrN2O3.ClH/c1-3-4-5-6-18-9-11-7-12(16)15(13(8-11)20-2)21-10-14(17)19;/h7-8,18H,3-6,9-10H2,1-2H3,(H2,17,19);1H
InChIKeyNKWIZIPQPBVMMT-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.02
Rot. Bonds10

About 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride

2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17291007) has the molecular formula C15H24BrClN2O3 and a molecular weight of 395.73 g/mol. Its IUPAC name is 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17291007
Molecular FormulaC15H24BrClN2O3
Molecular Weight395.73 g/mol
Exact Mass394.07
IUPAC Name2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCCCNCc1cc(Br)c(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C15H23BrN2O3.ClH/c1-3-4-5-6-18-9-11-7-12(16)15(13(8-11)20-2)21-10-14(17)19;/h7-8,18H,3-6,9-10H2,1-2H3,(H2,17,19);1H
InChIKeyNKWIZIPQPBVMMT-UHFFFAOYSA-N
XLogP3.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]pentan-1-amine;hydrochloride
CID 17292240
2-[2-bromo-6-ethoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290905
N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291143
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 43622360
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethyl carbamate
CID 83210828
2-[2-bromo-6-methoxy-4-[(thiophen-2-ylmethylamino)methyl]phenoxy]acetamide
CID 2996906
2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
CID 17293104
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291010
2-[2-bromo-6-methoxy-4-[[2-(1-methyltetrazol-5-yl)sulfanylethylamino]methyl]phenoxy]acetamide
CID 4718576
2-[2-bromo-6-ethoxy-4-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 4722322
2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17291007) is 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride is CCCCCNCc1cc(Br)c(OCC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is NKWIZIPQPBVMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3.ClH/c1-3-4-5-6-18-9-11-7-12(16)15(13(8-11)20-2)21-10-14(17)19;/h7-8,18H,3-6,9-10H2,1-2H3,(H2,17,19);1H.
What are the key properties of 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 395.73 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17291007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).