(3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone

C19H21NO2 — CID 16894703

IUPAC(3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1C
InChIInChI=1S/C19H21NO2/c1-14-8-9-17(12-15(14)2)19(21)20-10-11-22-18(13-20)16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyORMAJIGQDDTDQC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.52
Rot. Bonds2

About (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone

(3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 16894703) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID16894703
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESCc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1C
InChIInChI=1S/C19H21NO2/c1-14-8-9-17(12-15(14)2)19(21)20-10-11-22-18(13-20)16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyORMAJIGQDDTDQC-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone (CID 16894703) is (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone is Cc1ccc(C(=O)N2CCOC(c3ccccc3)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is ORMAJIGQDDTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-8-9-17(12-15(14)2)19(21)20-10-11-22-18(13-20)16-6-4-3-5-7-16/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone?
(3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 16894703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).