3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine

C11H15BrClNO — CID 114525429

IUPAC3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClNO/c1-14(2)6-3-7-15-11-8-9(12)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHFJDCKHDSQCENV-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.43
Rot. Bonds5

About 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine

3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine (PubChem CID 114525429) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
PubChem CID114525429
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClNO/c1-14(2)6-3-7-15-11-8-9(12)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHFJDCKHDSQCENV-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine 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

4-bromo-1-chloro-2-(3-ethylsulfonylpropoxy)benzene
CID 65092693
4-bromo-1-chloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514016
4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
CID 106452990
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
4-bromo-2-[3-(dimethylamino)propoxy]benzenecarbothioamide
CID 114903726
3-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82976384
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
4-bromo-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 59068691
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 82975362
[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]boronic acid
CID 53216473
5-[2-(5-bromo-2-chlorophenoxy)ethyl]-1-methylpyrazole
CID 103002806

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine (CID 114525429) is 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cc(Br)ccc1Cl.
What is the InChIKey of 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine?
The InChIKey is HFJDCKHDSQCENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-14(2)6-3-7-15-11-8-9(12)4-5-10(11)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine?
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine has a molecular weight of 292.60 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114525429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).