2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine

C13H19BrN2O — CID 82308317

IUPAC2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
SMILESCc1cc(N2CCOC(CCN)C2)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10-8-11(2-3-13(10)14)16-6-7-17-12(9-16)4-5-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyORTBXZXKAATNNK-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.31
Rot. Bonds3

About 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine

2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine (PubChem CID 82308317) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
PubChem CID82308317
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
SMILESCc1cc(N2CCOC(CCN)C2)ccc1Br
InChIInChI=1S/C13H19BrN2O/c1-10-8-11(2-3-13(10)14)16-6-7-17-12(9-16)4-5-15/h2-3,8,12H,4-7,9,15H2,1H3
InChIKeyORTBXZXKAATNNK-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]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

2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
CID 82300838
2-[4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-yl]ethanamine
CID 84607307
[4-(4-amino-3-methylphenyl)morpholin-2-yl]methanol
CID 81206062
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
[(2R)-4-(3-bromophenyl)morpholin-2-yl]methanamine
CID 42079022
2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine
CID 141217231
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone
CID 114068612
N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135020
2-[4-(4-bromo-3-methylphenyl)-1-methyl-1,4-diazepan-2-yl]ethanol
CID 84608258
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine (CID 82308317) is 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine is Cc1cc(N2CCOC(CCN)C2)ccc1Br.
What is the InChIKey of 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine?
The InChIKey is ORTBXZXKAATNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-8-11(2-3-13(10)14)16-6-7-17-12(9-16)4-5-15/h2-3,8,12H,4-7,9,15H2,1H3.
What are the key properties of 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine?
2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 82308317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).