4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol

C16H24ClNO2 — CID 97319822

IUPAC4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(C)(C)O
InChIInChI=1S/C16H24ClNO2/c1-12-11-20-15(13-6-4-5-7-14(13)17)10-18(12)9-8-16(2,3)19/h4-7,12,15,19H,8-11H2,1-3H3/t12-,15-/m1/s1
InChIKeyUPSTXVYLVUMOGM-IUODEOHRSA-N
MW297.83 g/mol
LogP3.26
Rot. Bonds4

About 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol

4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol (PubChem CID 97319822) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol
PubChem CID97319822
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(C)(C)O
InChIInChI=1S/C16H24ClNO2/c1-12-11-20-15(13-6-4-5-7-14(13)17)10-18(12)9-8-16(2,3)19/h4-7,12,15,19H,8-11H2,1-3H3/t12-,15-/m1/s1
InChIKeyUPSTXVYLVUMOGM-IUODEOHRSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
CID 95621900
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 71930920
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
CID 99792277
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol (CID 97319822) is 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol is C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(C)(C)O.
What is the InChIKey of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol?
The InChIKey is UPSTXVYLVUMOGM-IUODEOHRSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12-11-20-15(13-6-4-5-7-14(13)17)10-18(12)9-8-16(2,3)19/h4-7,12,15,19H,8-11H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol?
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 97319822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).