2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride

C15H24BrClN2O2 — CID 17053783

IUPAC2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCCCCNCc1cc(Br)ccc1OCC(N)=O.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-2-3-4-5-8-18-10-12-9-13(16)6-7-14(12)20-11-15(17)19;/h6-7,9,18H,2-5,8,10-11H2,1H3,(H2,17,19);1H
InChIKeyZFGGWRNZPXQAAF-UHFFFAOYSA-N
MW379.73 g/mol
LogP3.40
Rot. Bonds10

About 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride

2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 17053783) has the molecular formula C15H24BrClN2O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID17053783
Molecular FormulaC15H24BrClN2O2
Molecular Weight379.73 g/mol
Exact Mass378.07
IUPAC Name2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCCCCCNCc1cc(Br)ccc1OCC(N)=O.Cl
InChIInChI=1S/C15H23BrN2O2.ClH/c1-2-3-4-5-8-18-10-12-9-13(16)6-7-14(12)20-11-15(17)19;/h6-7,9,18H,2-5,8,10-11H2,1H3,(H2,17,19);1H
InChIKeyZFGGWRNZPXQAAF-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
2-[4-bromo-2-[(3-ethoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053775
2-[4-bromo-2-[(4-methylpentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 90484137
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17054022
2-[4-bromo-2-[[2-(diethylamino)ethylamino]methyl]phenoxy]acetamide
CID 17053825
2-[4-bromo-2-[(2-hydroxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053771
N-[(5-bromo-2-heptoxyphenyl)methyl]propan-1-amine
CID 43277545
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 17055269
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722755

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride (CID 17053783) is 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride is CCCCCCNCc1cc(Br)ccc1OCC(N)=O.Cl.
What is the InChIKey of 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is ZFGGWRNZPXQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2.ClH/c1-2-3-4-5-8-18-10-12-9-13(16)6-7-14(12)20-11-15(17)19;/h6-7,9,18H,2-5,8,10-11H2,1H3,(H2,17,19);1H.
What are the key properties of 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 379.73 g/mol, XLogP of 3.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(hexylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17053783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).