[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol

C14H20ClNO2 — CID 100698230

IUPAC[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCc1cc(Cl)ccc1CN1C[C@@H](CO)OC[C@H]1C
InChIInChI=1S/C14H20ClNO2/c1-10-5-13(15)4-3-12(10)6-16-7-14(8-17)18-9-11(16)2/h3-5,11,14,17H,6-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyZHNBZWOGTIFBKP-RISCZKNCSA-N
MW269.77 g/mol
LogP2.23
Rot. Bonds3

About [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol

[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 100698230) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID100698230
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCc1cc(Cl)ccc1CN1C[C@@H](CO)OC[C@H]1C
InChIInChI=1S/C14H20ClNO2/c1-10-5-13(15)4-3-12(10)6-16-7-14(8-17)18-9-11(16)2/h3-5,11,14,17H,6-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyZHNBZWOGTIFBKP-RISCZKNCSA-N
XLogP2.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-fluorophenyl)methyl]-2-(chloromethyl)-5-methylmorpholine
CID 114859370
3-chloro-4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 102666322
[4-[(4-chloro-2-methylphenyl)methyl]morpholin-2-yl]methanol
CID 91648632
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[4-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81203885
[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213707
[(2R,5S)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylmorpholin-2-yl]methanol
CID 97153620
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzoic acid
CID 81204463

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 100698230) is [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol is Cc1cc(Cl)ccc1CN1C[C@@H](CO)OC[C@H]1C.
What is the InChIKey of [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is ZHNBZWOGTIFBKP-RISCZKNCSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-5-13(15)4-3-12(10)6-16-7-14(8-17)18-9-11(16)2/h3-5,11,14,17H,6-9H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 269.77 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 100698230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).