[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone

C17H26N2O2 — CID 45235539

IUPAC[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCOC(CCN(C)C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-13-5-6-14(2)16(11-13)17(20)19-9-10-21-15(12-19)7-8-18(3)4/h5-6,11,15H,7-10,12H2,1-4H3
InChIKeyQSIPGTSNCJWNHB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.10
Rot. Bonds4

About [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone

[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 45235539) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
PubChem CID45235539
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCOC(CCN(C)C)C2)c1
InChIInChI=1S/C17H26N2O2/c1-13-5-6-14(2)16(11-13)17(20)19-9-10-21-15(12-19)7-8-18(3)4/h5-6,11,15H,7-10,12H2,1-4H3
InChIKeyQSIPGTSNCJWNHB-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 28731167
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
methyl 2-[4-(2,4-dimethylbenzoyl)morpholin-2-yl]acetate
CID 79812703
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 42190289

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone (CID 45235539) is [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CCOC(CCN(C)C)C2)c1.
What is the InChIKey of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is QSIPGTSNCJWNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-6-14(2)16(11-13)17(20)19-9-10-21-15(12-19)7-8-18(3)4/h5-6,11,15H,7-10,12H2,1-4H3.
What are the key properties of [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone?
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 45235539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).