[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone

C15H21NO2 — CID 116919590

IUPAC[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)C2COCCN2)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)9-12-3-5-13(6-4-12)15(17)14-10-18-8-7-16-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyDWHOGZHNYDCDAO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.06
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone

[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone (PubChem CID 116919590) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
PubChem CID116919590
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)C2COCCN2)cc1
InChIInChI=1S/C15H21NO2/c1-11(2)9-12-3-5-13(6-4-12)15(17)14-10-18-8-7-16-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyDWHOGZHNYDCDAO-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)phenyl]-[1-(morpholine-3-carbonyl)piperidin-4-yl]methanone
CID 119734536
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanamine
CID 116941120
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
CID 116576254
(3-ethoxyphenyl)-morpholin-3-ylmethanone
CID 116576412
1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
CID 116941475
(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
CID 107000654
1-morpholin-3-ylpropan-1-one
CID 54487560
methyl 4-[2-(morpholine-3-carbonylamino)ethyl]benzoate
CID 119701381
1,3-benzoxazol-6-yl(morpholin-3-yl)methanone
CID 116919637

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone (CID 116919590) is [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone is CC(C)Cc1ccc(C(=O)C2COCCN2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone?
The InChIKey is DWHOGZHNYDCDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)9-12-3-5-13(6-4-12)15(17)14-10-18-8-7-16-14/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone?
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone is sourced from PubChem (CID 116919590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).