1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol

C15H22ClNO2 — CID 104960789

IUPAC1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
SMILESC[C@@H]1CN(CCC(O)c2ccc(Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C15H22ClNO2/c1-11-9-17(10-12(2)19-11)8-7-15(18)13-3-5-14(16)6-4-13/h3-6,11-12,15,18H,7-10H2,1-2H3/t11-,12+,15?
InChIKeyIOISLBYYQXIHGV-ODOQXGPZSA-N
MW283.80 g/mol
LogP2.87
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol

1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol (PubChem CID 104960789) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
PubChem CID104960789
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
SMILESC[C@@H]1CN(CCC(O)c2ccc(Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C15H22ClNO2/c1-11-9-17(10-12(2)19-11)8-7-15(18)13-3-5-14(16)6-4-13/h3-6,11-12,15,18H,7-10H2,1-2H3/t11-,12+,15?
InChIKeyIOISLBYYQXIHGV-ODOQXGPZSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 82073803
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
CID 104960773
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 62644931
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 62628976
1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
CID 82073439
4-[3-(4-chlorophenyl)sulfanylpropyl]-2,6-dimethylmorpholine
CID 2935352
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
1-(4-fluorophenyl)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 62629822
(2S,6S)-4-[2-[2-(4-chlorophenyl)sulfanylethoxy]ethyl]-2,6-dimethylmorpholine
CID 2182895

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol (CID 104960789) is 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol is C[C@@H]1CN(CCC(O)c2ccc(Cl)cc2)C[C@H](C)O1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
The InChIKey is IOISLBYYQXIHGV-ODOQXGPZSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11-9-17(10-12(2)19-11)8-7-15(18)13-3-5-14(16)6-4-13/h3-6,11-12,15,18H,7-10H2,1-2H3/t11-,12+,15?.
What are the key properties of 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol?
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol is sourced from PubChem (CID 104960789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).