(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid

C16H23ClN2O5 — CID 71785925

IUPAC(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
SMILESCOc1ccc(Cl)cc1C(=O)N1CCOCC1CN(C)C.O=CO
InChIInChI=1S/C15H21ClN2O3.CH2O2/c1-17(2)9-12-10-21-7-6-18(12)15(19)13-8-11(16)4-5-14(13)20-3;2-1-3/h4-5,8,12H,6-7,9-10H2,1-3H3;1H,(H,2,3)
InChIKeyFFMIMYIRAWORIB-UHFFFAOYSA-N
MW358.82 g/mol
LogP1.45
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid

(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid (PubChem CID 71785925) has the molecular formula C16H23ClN2O5 and a molecular weight of 358.82 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
PubChem CID71785925
Molecular FormulaC16H23ClN2O5
Molecular Weight358.82 g/mol
Exact Mass358.13
IUPAC Name(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
SMILESCOc1ccc(Cl)cc1C(=O)N1CCOCC1CN(C)C.O=CO
InChIInChI=1S/C15H21ClN2O3.CH2O2/c1-17(2)9-12-10-21-7-6-18(12)15(19)13-8-11(16)4-5-14(13)20-3;2-1-3/h4-5,8,12H,6-7,9-10H2,1-3H3;1H,(H,2,3)
InChIKeyFFMIMYIRAWORIB-UHFFFAOYSA-N
XLogP1.45
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040326
(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785900
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
CID 71785945
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(2-fluorophenoxy)ethanone;formic acid
CID 71785953
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80504988
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-ethoxyethanone;formic acid
CID 71785884
(3,5-dimethoxyphenyl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
CID 71785911
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 71785895
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 62170445
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid (CID 71785925) is (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid is COc1ccc(Cl)cc1C(=O)N1CCOCC1CN(C)C.O=CO.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
The InChIKey is FFMIMYIRAWORIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3.CH2O2/c1-17(2)9-12-10-21-7-6-18(12)15(19)13-8-11(16)4-5-14(13)20-3;2-1-3/h4-5,8,12H,6-7,9-10H2,1-3H3;1H,(H,2,3).
What are the key properties of (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid?
(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid has a molecular weight of 358.82 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid is sourced from PubChem (CID 71785925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).