1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine

C15H24BrNO2 — CID 43770902

IUPAC1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCCOC)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-3-15(13-6-4-7-14(16)12-13)17-8-5-9-19-11-10-18-2/h4,6-7,12,15,17H,3,5,8-11H2,1-2H3
InChIKeyOHWWHIQGKKWQCA-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.54
Rot. Bonds10

About 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine

1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine (PubChem CID 43770902) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
PubChem CID43770902
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
SMILESCCC(NCCCOCCOC)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-3-15(13-6-4-7-14(16)12-13)17-8-5-9-19-11-10-18-2/h4,6-7,12,15,17H,3,5,8-11H2,1-2H3
InChIKeyOHWWHIQGKKWQCA-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-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

N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
2-[1-(3-bromophenyl)propylamino]-N-(2-methoxyethyl)acetamide
CID 112700031
1-(3-bromophenyl)-N-(2-but-3-enoxyethyl)propan-1-amine
CID 113349211
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702
1-(3-bromophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]propan-1-amine
CID 103082647
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine
CID 82941084
1-(3-bromophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 63455209
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine (CID 43770902) is 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine is CCC(NCCCOCCOC)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine?
The InChIKey is OHWWHIQGKKWQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-3-15(13-6-4-7-14(16)12-13)17-8-5-9-19-11-10-18-2/h4,6-7,12,15,17H,3,5,8-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine?
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine is sourced from PubChem (CID 43770902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).