(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone

C15H21ClN2O2 — CID 26407031

IUPAC(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
SMILESCN(C)CC[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C15H21ClN2O2/c1-17(2)8-7-14-11-18(9-10-20-14)15(19)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1
InChIKeySVRLJRWBVJYFOB-AWEZNQCLSA-N
MW296.80 g/mol
LogP2.13
Rot. Bonds4

About (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone

(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone (PubChem CID 26407031) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
PubChem CID26407031
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
SMILESCN(C)CC[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C15H21ClN2O2/c1-17(2)8-7-14-11-18(9-10-20-14)15(19)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1
InChIKeySVRLJRWBVJYFOB-AWEZNQCLSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 45235539
[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 167967248
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
[2-(bromomethyl)morpholin-4-yl]-[4-(dimethylamino)phenyl]methanone
CID 81211880
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 28731167
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone (CID 26407031) is (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone is CN(C)CC[C@H]1CN(C(=O)c2ccc(Cl)cc2)CCO1.
What is the InChIKey of (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The InChIKey is SVRLJRWBVJYFOB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-17(2)8-7-14-11-18(9-10-20-14)15(19)12-3-5-13(16)6-4-12/h3-6,14H,7-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone has a molecular weight of 296.80 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 26407031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).