(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone

C14H18BrNO2 — CID 112705730

IUPAC(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)c(C)c2)CCO1
InChIInChI=1S/C14H18BrNO2/c1-3-12-9-16(6-7-18-12)14(17)11-4-5-13(15)10(2)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyXIJZAAYYQHXFCW-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.01
Rot. Bonds2

About (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone

(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 112705730) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID112705730
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)c(C)c2)CCO1
InChIInChI=1S/C14H18BrNO2/c1-3-12-9-16(6-7-18-12)14(17)11-4-5-13(15)10(2)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyXIJZAAYYQHXFCW-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
aziridin-1-yl-(4-bromo-3-methylphenyl)methanone
CID 131112534
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
[2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-nitrophenyl)methanone
CID 81208302
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone (CID 112705730) is (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2ccc(Br)c(C)c2)CCO1.
What is the InChIKey of (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is XIJZAAYYQHXFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-12-9-16(6-7-18-12)14(17)11-4-5-13(15)10(2)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone?
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 312.21 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 112705730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).