2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol

C13H18ClNO2 — CID 141129247

IUPAC2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol
SMILESCC1C(c2cccc(Cl)c2)OCCN1CCO
InChIInChI=1S/C13H18ClNO2/c1-10-13(11-3-2-4-12(14)9-11)17-8-6-15(10)5-7-16/h2-4,9-10,13,16H,5-8H2,1H3
InChIKeyDNMPLEVOLPJDNO-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.09
Rot. Bonds3

About 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol

2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol (PubChem CID 141129247) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol
PubChem CID141129247
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol
SMILESCC1C(c2cccc(Cl)c2)OCCN1CCO
InChIInChI=1S/C13H18ClNO2/c1-10-13(11-3-2-4-12(14)9-11)17-8-6-15(10)5-7-16/h2-4,9-10,13,16H,5-8H2,1H3
InChIKeyDNMPLEVOLPJDNO-UHFFFAOYSA-N
XLogP2.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
CID 141298282
(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine
CID 51349597
2-(3-chlorophenyl)oxolan-3-amine
CID 79364588
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
CID 43366940
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
CID 110609461
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79083029
2-(3-chlorophenyl)-N-propylmorpholine-4-sulfonamide
CID 110609463
2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
CID 20395
3-[(2S,3S)-2-(4-bromophenyl)-3-methylmorpholin-4-yl]-N-methylpropanamide
CID 124588757
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671238
4-[3,3-di(thiophen-3-yl)prop-2-enyl]-3-methyl-2-phenylmorpholine
CID 110182414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol?
The IUPAC name of 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol (CID 141129247) is 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol?
The canonical SMILES for 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol is CC1C(c2cccc(Cl)c2)OCCN1CCO.
What is the InChIKey of 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol?
The InChIKey is DNMPLEVOLPJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10-13(11-3-2-4-12(14)9-11)17-8-6-15(10)5-7-16/h2-4,9-10,13,16H,5-8H2,1H3.
What are the key properties of 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol?
2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol has a molecular weight of 255.74 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol is sourced from PubChem (CID 141129247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).