(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol

C14H20ClNO2 — CID 78939185

IUPAC(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
SMILESCC1CN(c2ccc([C@H](C)O)cc2Cl)CC(C)O1
InChIInChI=1S/C14H20ClNO2/c1-9-7-16(8-10(2)18-9)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3/t9?,10?,11-/m0/s1
InChIKeyRZXXQHUWAZATCN-ILDUYXDCSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds2

About (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol

(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol (PubChem CID 78939185) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
PubChem CID78939185
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
SMILESCC1CN(c2ccc([C@H](C)O)cc2Cl)CC(C)O1
InChIInChI=1S/C14H20ClNO2/c1-9-7-16(8-10(2)18-9)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3/t9?,10?,11-/m0/s1
InChIKeyRZXXQHUWAZATCN-ILDUYXDCSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]ethanol
CID 103535462
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine
CID 129268171
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
N-[[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 81147425
(1R)-1-[3-chloro-4-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 63370825
(1R)-1-[3-chloro-4-[3-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 79026265
1-[3-chloro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 62908706
3-chloro-4-(2,6-dimethylmorpholin-4-yl)benzonitrile
CID 63088038

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol (CID 78939185) is (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol is CC1CN(c2ccc([C@H](C)O)cc2Cl)CC(C)O1.
What is the InChIKey of (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol?
The InChIKey is RZXXQHUWAZATCN-ILDUYXDCSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-16(8-10(2)18-9)14-5-4-12(11(3)17)6-13(14)15/h4-6,9-11,17H,7-8H2,1-3H3/t9?,10?,11-/m0/s1.
What are the key properties of (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol?
(1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol has a molecular weight of 269.77 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 78939185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).