(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol

C13H18ClNO2 — CID 170360607

IUPAC(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
SMILESC[C@H](O)C1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H18ClNO2/c1-9(16)13-7-15-12(8-17-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,15-16H,6-8H2,1H3/t9-,12?,13?/m0/s1
InChIKeyYMYZGBSJVPXBTI-ALXWSUNGSA-N
MW255.74 g/mol
LogP1.62
Rot. Bonds3

About (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol

(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol (PubChem CID 170360607) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
PubChem CID170360607
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol
SMILESC[C@H](O)C1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H18ClNO2/c1-9(16)13-7-15-12(8-17-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,15-16H,6-8H2,1H3/t9-,12?,13?/m0/s1
InChIKeyYMYZGBSJVPXBTI-ALXWSUNGSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]pentan-3-ol
CID 155765794
(5S)-5-[(4-chlorophenyl)methyl]-2-phenylmorpholine
CID 169042690
1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]prop-2-yn-1-one
CID 155577166
2-[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-yl 2,2,2-trifluoroacetate
CID 126641966
[1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]-2,2,2-trifluoroethoxy]-phenoxymethanethione
CID 155577109
(2S,5S)-5-[(4-chlorophenyl)methyl]-2-(2,2,2-trifluoroethyl)morpholine;hydrochloride
CID 155765890
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethylsulfinylmethyl)morpholine
CID 170360871
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)morpholine
CID 155765827
ethyl 2-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methoxy]acetate
CID 170364767
methyl 3-[[(2R,5S)-5-[(4-chlorophenyl)methyl]morpholin-2-yl]methylsulfonyl]propanoate
CID 169321080
5-[(4-chlorophenyl)methyl]-2-methylmorpholin-3-one
CID 154520608
(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)morpholine
CID 163211298

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol?
The IUPAC name of (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol (CID 170360607) is (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol is C[C@H](O)C1CNC(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol?
The InChIKey is YMYZGBSJVPXBTI-ALXWSUNGSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(16)13-7-15-12(8-17-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,15-16H,6-8H2,1H3/t9-,12?,13?/m0/s1.
What are the key properties of (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol?
(1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol has a molecular weight of 255.74 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(4-chlorophenyl)methyl]morpholin-2-yl]ethanol is sourced from PubChem (CID 170360607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).