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

C15H21ClN2O3 — CID 97040326

IUPAC(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCOC[C@H]1CN(C)C
InChIInChI=1S/C15H21ClN2O3/c1-17(2)9-12-10-21-7-6-18(12)15(19)13-8-11(16)4-5-14(13)20-3/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyVLQUIVMCCBZVJZ-GFCCVEGCSA-N
MW312.80 g/mol
LogP1.75
Rot. Bonds4

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

(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone (PubChem CID 97040326) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
PubChem CID97040326
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCOC[C@H]1CN(C)C
InChIInChI=1S/C15H21ClN2O3/c1-17(2)9-12-10-21-7-6-18(12)15(19)13-8-11(16)4-5-14(13)20-3/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyVLQUIVMCCBZVJZ-GFCCVEGCSA-N
XLogP1.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785925
(2,4-dimethoxyphenyl)-[3-[(dimethylamino)methyl]morpholin-4-yl]methanone;formic acid
CID 71785900
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80504988
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 62170445
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
CID 117009222
1-benzofuran-2-yl-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone
CID 97040394
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone (CID 97040326) is (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCOC[C@H]1CN(C)C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
The InChIKey is VLQUIVMCCBZVJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-17(2)9-12-10-21-7-6-18(12)15(19)13-8-11(16)4-5-14(13)20-3/h4-5,8,12H,6-7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone?
(5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone has a molecular weight of 312.80 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[(3R)-3-[(dimethylamino)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 97040326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).