(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone

C14H18BrNO2 — CID 164895388

IUPAC(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone
SMILESCC(C)c1cc(Br)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18BrNO2/c1-10(2)11-7-12(9-13(15)8-11)14(17)16-3-5-18-6-4-16/h7-10H,3-6H2,1-2H3
InChIKeyAKJPORUGDMXUIQ-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.04
Rot. Bonds2

About (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone

(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone (PubChem CID 164895388) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone
PubChem CID164895388
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone
SMILESCC(C)c1cc(Br)cc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C14H18BrNO2/c1-10(2)11-7-12(9-13(15)8-11)14(17)16-3-5-18-6-4-16/h7-10H,3-6H2,1-2H3
InChIKeyAKJPORUGDMXUIQ-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
CID 75537166
[3-bromo-5-(morpholine-4-carbonyl)phenyl]boronic acid
CID 131697692
N-(2,6-dibromo-4-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3810125
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 107971361
N-[3-acetamido-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 18105348
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 104852991
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone (CID 164895388) is (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone is CC(C)c1cc(Br)cc(C(=O)N2CCOCC2)c1.
What is the InChIKey of (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone?
The InChIKey is AKJPORUGDMXUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10(2)11-7-12(9-13(15)8-11)14(17)16-3-5-18-6-4-16/h7-10H,3-6H2,1-2H3.
What are the key properties of (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone?
(3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone has a molecular weight of 312.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-propan-2-ylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 164895388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).