3-bromo-5-methyl-4-morpholin-4-ylaniline

C11H15BrN2O — CID 50879612

IUPAC3-bromo-5-methyl-4-morpholin-4-ylaniline
SMILESCc1cc(N)cc(Br)c1N1CCOCC1
InChIInChI=1S/C11H15BrN2O/c1-8-6-9(13)7-10(12)11(8)14-2-4-15-5-3-14/h6-7H,2-5,13H2,1H3
InChIKeySPOXCPIVJYFIQF-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.18
Rot. Bonds1

About 3-bromo-5-methyl-4-morpholin-4-ylaniline

3-bromo-5-methyl-4-morpholin-4-ylaniline (PubChem CID 50879612) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-bromo-5-methyl-4-morpholin-4-ylaniline.

Molecular Properties

Compound Name3-bromo-5-methyl-4-morpholin-4-ylaniline
PubChem CID50879612
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-bromo-5-methyl-4-morpholin-4-ylaniline
SMILESCc1cc(N)cc(Br)c1N1CCOCC1
InChIInChI=1S/C11H15BrN2O/c1-8-6-9(13)7-10(12)11(8)14-2-4-15-5-3-14/h6-7H,2-5,13H2,1H3
InChIKeySPOXCPIVJYFIQF-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-morpholin-4-ylaniline
CID 10607787
4-methyl-5-morpholin-4-ylbenzene-1,2-diamine
CID 54371307
4-(6-bromo-2-ethyl-4-methyl-3-pyridinyl)morpholine
CID 170065390
4-(2-bromo-4,6-difluorophenyl)morpholine
CID 84714714
3-bromo-5-fluoro-4-pyrrolidin-1-ylaniline
CID 84709742
6-bromo-3-chloro-2-morpholin-4-ylaniline
CID 106701530
4-bromo-5-morpholin-4-ylfuran-2-amine
CID 98770124
3-bromo-5-fluoro-4-piperidin-1-ylaniline
CID 84713585
4-[3-bromo-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 163692702
3-bromo-5-ethyl-4-piperidin-1-ylaniline
CID 91681100
1,3-bis(2-bromo-4,6-dimethylphenyl)imidazolidine
CID 90442491
3,4-dimethyl-5-(3-morpholin-4-ylazetidin-1-yl)aniline
CID 134589287

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-4-morpholin-4-ylaniline?
The IUPAC name of 3-bromo-5-methyl-4-morpholin-4-ylaniline (CID 50879612) is 3-bromo-5-methyl-4-morpholin-4-ylaniline.
What is the SMILES notation for 3-bromo-5-methyl-4-morpholin-4-ylaniline?
The canonical SMILES for 3-bromo-5-methyl-4-morpholin-4-ylaniline is Cc1cc(N)cc(Br)c1N1CCOCC1.
What is the InChIKey of 3-bromo-5-methyl-4-morpholin-4-ylaniline?
The InChIKey is SPOXCPIVJYFIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-6-9(13)7-10(12)11(8)14-2-4-15-5-3-14/h6-7H,2-5,13H2,1H3.
What are the key properties of 3-bromo-5-methyl-4-morpholin-4-ylaniline?
3-bromo-5-methyl-4-morpholin-4-ylaniline has a molecular weight of 271.16 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-4-morpholin-4-ylaniline is sourced from PubChem (CID 50879612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).