(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol

C15H22Cl2N2O2 — CID 95322001

IUPAC(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
SMILESCN(C)C[C@H]1CN(C[C@H](O)c2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C15H22Cl2N2O2/c1-18(2)8-12-9-19(5-6-21-12)10-15(20)13-7-11(16)3-4-14(13)17/h3-4,7,12,15,20H,5-6,8-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyBRXUIOROTQVAIR-WFASDCNBSA-N
MW333.26 g/mol
LogP2.29
Rot. Bonds5

About (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol

(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol (PubChem CID 95322001) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
PubChem CID95322001
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
SMILESCN(C)C[C@H]1CN(C[C@H](O)c2cc(Cl)ccc2Cl)CCO1
InChIInChI=1S/C15H22Cl2N2O2/c1-18(2)8-12-9-19(5-6-21-12)10-15(20)13-7-11(16)3-4-14(13)17/h3-4,7,12,15,20H,5-6,8-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyBRXUIOROTQVAIR-WFASDCNBSA-N
XLogP2.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 100842404
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol
CID 98767477
(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
CID 95332227
(3S)-1-[(2R)-2-(2,5-dichlorophenyl)-2-hydroxyethyl]piperidin-3-ol
CID 94379698
(1S)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 100842396
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95611859
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]acetamide
CID 95332208
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 80502462
4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile
CID 111105453

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
The IUPAC name of (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol (CID 95322001) is (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
The canonical SMILES for (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol is CN(C)C[C@H]1CN(C[C@H](O)c2cc(Cl)ccc2Cl)CCO1.
What is the InChIKey of (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
The InChIKey is BRXUIOROTQVAIR-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-18(2)8-12-9-19(5-6-21-12)10-15(20)13-7-11(16)3-4-14(13)17/h3-4,7,12,15,20H,5-6,8-10H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol?
(1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol has a molecular weight of 333.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dichlorophenyl)-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]ethanol is sourced from PubChem (CID 95322001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).