(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone

C14H20N2O2 — CID 61428483

IUPAC(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CCOCC1(C)C
InChIInChI=1S/C14H20N2O2/c1-14(2)10-18-9-8-16(14)13(17)11-6-4-5-7-12(11)15-3/h4-7,15H,8-10H2,1-3H3
InChIKeyOJDRFDVLTDVNEA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.98
Rot. Bonds2

About (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone

(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone (PubChem CID 61428483) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
PubChem CID61428483
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
SMILESCNc1ccccc1C(=O)N1CCOCC1(C)C
InChIInChI=1S/C14H20N2O2/c1-14(2)10-18-9-8-16(14)13(17)11-6-4-5-7-12(11)15-3/h4-7,15H,8-10H2,1-3H3
InChIKeyOJDRFDVLTDVNEA-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
(2-bromo-3-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103752604
(3-chloro-2-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 79841343
(3-amino-4-pyridinyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 105069397
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
(2,5-dibromophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 114371991
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
CID 62174330
(5-chloro-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61430706
(5-bromo-2-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 103627209
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone (CID 61428483) is (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone is CNc1ccccc1C(=O)N1CCOCC1(C)C.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone?
The InChIKey is OJDRFDVLTDVNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)10-18-9-8-16(14)13(17)11-6-4-5-7-12(11)15-3/h4-7,15H,8-10H2,1-3H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone?
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone is sourced from PubChem (CID 61428483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).