1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine

C13H19BrN2O — CID 114068845

IUPAC1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(N2CCOCC2)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(15-2)12-4-3-11(9-13(12)14)16-5-7-17-8-6-16/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyAXVUONVZOPIMNY-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.57
Rot. Bonds3

About 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine

1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine (PubChem CID 114068845) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine
PubChem CID114068845
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(N2CCOCC2)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-10(15-2)12-4-3-11(9-13(12)14)16-5-7-17-8-6-16/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyAXVUONVZOPIMNY-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[3-bromo-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 163692702
4-morpholin-4-yl-2-propan-2-ylaniline
CID 91671939
1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60781399
N-[1-(4-bromothiophen-2-yl)ethyl]-4-morpholin-4-ylaniline
CID 107167664
2-(difluoromethyl)-5-morpholin-4-ylbenzenethiol
CID 121367020
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
2-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 142676470
5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 106836255
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283919
(1S)-1-[2-bromo-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 114069717
N-methylpropan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 156652466

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine (CID 114068845) is 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine is CNC(C)c1ccc(N2CCOCC2)cc1Br.
What is the InChIKey of 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine?
The InChIKey is AXVUONVZOPIMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(15-2)12-4-3-11(9-13(12)14)16-5-7-17-8-6-16/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine?
1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-morpholin-4-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 114068845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).