2-(3-bromo-4-cyclopropylphenyl)morpholine

C13H16BrNO — CID 117453196

IUPAC2-(3-bromo-4-cyclopropylphenyl)morpholine
SMILESBrc1cc(C2CNCCO2)ccc1C1CC1
InChIInChI=1S/C13H16BrNO/c14-12-7-10(13-8-15-5-6-16-13)3-4-11(12)9-1-2-9/h3-4,7,9,13,15H,1-2,5-6,8H2
InChIKeyWQKPPGQMNBHIQR-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.99
Rot. Bonds2

About 2-(3-bromo-4-cyclopropylphenyl)morpholine

2-(3-bromo-4-cyclopropylphenyl)morpholine (PubChem CID 117453196) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(3-bromo-4-cyclopropylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-bromo-4-cyclopropylphenyl)morpholine
PubChem CID117453196
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(3-bromo-4-cyclopropylphenyl)morpholine
SMILESBrc1cc(C2CNCCO2)ccc1C1CC1
InChIInChI=1S/C13H16BrNO/c14-12-7-10(13-8-15-5-6-16-13)3-4-11(12)9-1-2-9/h3-4,7,9,13,15H,1-2,5-6,8H2
InChIKeyWQKPPGQMNBHIQR-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-4-(oxolan-3-yl)phenyl]morpholine
CID 117497013
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
3-bromo-4-morpholin-2-ylphenol
CID 82623544
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
2-(3-cyclohexyl-4-methoxyphenyl)morpholine
CID 117440824
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588
2-[3-chloro-4-(thiolan-3-yl)phenyl]morpholine
CID 117456588

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyclopropylphenyl)morpholine?
The IUPAC name of 2-(3-bromo-4-cyclopropylphenyl)morpholine (CID 117453196) is 2-(3-bromo-4-cyclopropylphenyl)morpholine.
What is the SMILES notation for 2-(3-bromo-4-cyclopropylphenyl)morpholine?
The canonical SMILES for 2-(3-bromo-4-cyclopropylphenyl)morpholine is Brc1cc(C2CNCCO2)ccc1C1CC1.
What is the InChIKey of 2-(3-bromo-4-cyclopropylphenyl)morpholine?
The InChIKey is WQKPPGQMNBHIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-12-7-10(13-8-15-5-6-16-13)3-4-11(12)9-1-2-9/h3-4,7,9,13,15H,1-2,5-6,8H2.
What are the key properties of 2-(3-bromo-4-cyclopropylphenyl)morpholine?
2-(3-bromo-4-cyclopropylphenyl)morpholine has a molecular weight of 282.18 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyclopropylphenyl)morpholine is sourced from PubChem (CID 117453196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).