(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine

C13H20BrNO2 — CID 81382702

IUPAC(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
SMILESCOCCOCCN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-11(12-4-3-5-13(14)10-12)15-6-7-17-9-8-16-2/h3-5,10-11,15H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyHPUYOQPNAXSFPQ-LLVKDONJSA-N
MW302.21 g/mol
LogP2.76
Rot. Bonds8

About (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine

(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine (PubChem CID 81382702) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
PubChem CID81382702
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
SMILESCOCCOCCN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-11(12-4-3-5-13(14)10-12)15-6-7-17-9-8-16-2/h3-5,10-11,15H,6-9H2,1-2H3/t11-/m1/s1
InChIKeyHPUYOQPNAXSFPQ-LLVKDONJSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine 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

1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
CID 28673434
N-[(1R)-1-(3-bromophenyl)ethyl]-4-methoxybutan-1-amine
CID 104647522
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 95607825
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721510
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine (CID 81382702) is (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine is COCCOCCN[C@H](C)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine?
The InChIKey is HPUYOQPNAXSFPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-11(12-4-3-5-13(14)10-12)15-6-7-17-9-8-16-2/h3-5,10-11,15H,6-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine has a molecular weight of 302.21 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine is sourced from PubChem (CID 81382702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).