2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol

C13H18ClNO2 — CID 125000372

IUPAC2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
SMILESOCCN1CCO[C@@H](Cc2ccccc2Cl)C1
InChIInChI=1S/C13H18ClNO2/c14-13-4-2-1-3-11(13)9-12-10-15(5-7-16)6-8-17-12/h1-4,12,16H,5-10H2/t12-/m0/s1
InChIKeyRVJOHDBFEPINBE-LBPRGKRZSA-N
MW255.74 g/mol
LogP1.58
Rot. Bonds4

About 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol

2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol (PubChem CID 125000372) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
PubChem CID125000372
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
SMILESOCCN1CCO[C@@H](Cc2ccccc2Cl)C1
InChIInChI=1S/C13H18ClNO2/c14-13-4-2-1-3-11(13)9-12-10-15(5-7-16)6-8-17-12/h1-4,12,16H,5-10H2/t12-/m0/s1
InChIKeyRVJOHDBFEPINBE-LBPRGKRZSA-N
XLogP1.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,6-dichlorophenoxy)methyl]morpholin-4-yl]ethanol
CID 102567713
(2S)-2-[(2-chlorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 42511055
5-[[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]methyl]-2-hydroxybenzoic acid
CID 95553756
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
2-[2-(phenoxymethyl)morpholin-4-yl]ethanol
CID 102567654
3-[2-(2-chlorophenyl)morpholin-4-yl]propan-1-ol
CID 110936045
1-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125143071
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
(2S)-2-[(2-chlorophenyl)methyl]-4-pyrazin-2-ylmorpholine
CID 26403575
2-[[2-(2-chlorophenoxy)phenyl]methyl]-4-methylmorpholine
CID 150616365

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol?
The IUPAC name of 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol (CID 125000372) is 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol.
What is the SMILES notation for 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol?
The canonical SMILES for 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol is OCCN1CCO[C@@H](Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol?
The InChIKey is RVJOHDBFEPINBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-13-4-2-1-3-11(13)9-12-10-15(5-7-16)6-8-17-12/h1-4,12,16H,5-10H2/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol?
2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol has a molecular weight of 255.74 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol is sourced from PubChem (CID 125000372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).