2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

C19H23BrN2O2 — CID 119110429

IUPAC2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESBrc1cccc(OCCNCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H23BrN2O2/c20-17-5-3-6-18(14-17)24-11-8-21-15-16-4-1-2-7-19(16)22-9-12-23-13-10-22/h1-7,14,21H,8-13,15H2
InChIKeyWOAFAIFUPQYQBO-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.45
Rot. Bonds7

About 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (PubChem CID 119110429) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
PubChem CID119110429
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESBrc1cccc(OCCNCc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H23BrN2O2/c20-17-5-3-6-18(14-17)24-11-8-21-15-16-4-1-2-7-19(16)22-9-12-23-13-10-22/h1-7,14,21H,8-13,15H2
InChIKeyWOAFAIFUPQYQBO-UHFFFAOYSA-N
XLogP3.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]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

N-[2-(3-bromophenoxy)ethyl]morpholin-4-amine
CID 83021921
2-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 60688504
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
2-(3-methoxyphenoxy)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011465
2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61069035
2-(3-bromophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 55070509
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 119110351
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
N-benzyl-4-(3-bromophenoxy)butan-1-amine
CID 2183434

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (CID 119110429) is 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is Brc1cccc(OCCNCc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The InChIKey is WOAFAIFUPQYQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c20-17-5-3-6-18(14-17)24-11-8-21-15-16-4-1-2-7-19(16)22-9-12-23-13-10-22/h1-7,14,21H,8-13,15H2.
What are the key properties of 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine has a molecular weight of 391.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 119110429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).