(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine

C18H26ClNO — CID 170197390

IUPAC(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
SMILESC[C@H]1CN(C2CCCCC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C18H26ClNO/c1-14-12-20(17-5-3-2-4-6-17)18(13-21-14)11-15-7-9-16(19)10-8-15/h7-10,14,17-18H,2-6,11-13H2,1H3/t14-,18-/m0/s1
InChIKeyMIKBEFCAYZVMMF-KSSFIOAISA-N
MW307.86 g/mol
LogP4.30
Rot. Bonds3

About (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine

(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine (PubChem CID 170197390) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine.

Molecular Properties

Compound Name(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
PubChem CID170197390
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
SMILESC[C@H]1CN(C2CCCCC2)[C@@H](Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C18H26ClNO/c1-14-12-20(17-5-3-2-4-6-17)18(13-21-14)11-15-7-9-16(19)10-8-15/h7-10,14,17-18H,2-6,11-13H2,1H3/t14-,18-/m0/s1
InChIKeyMIKBEFCAYZVMMF-KSSFIOAISA-N
XLogP4.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine?
The IUPAC name of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine (CID 170197390) is (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine.
What is the SMILES notation for (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine?
The canonical SMILES for (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine is C[C@H]1CN(C2CCCCC2)[C@@H](Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine?
The InChIKey is MIKBEFCAYZVMMF-KSSFIOAISA-N. The full InChI is InChI=1S/C18H26ClNO/c1-14-12-20(17-5-3-2-4-6-17)18(13-21-14)11-15-7-9-16(19)10-8-15/h7-10,14,17-18H,2-6,11-13H2,1H3/t14-,18-/m0/s1.
What are the key properties of (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine?
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine has a molecular weight of 307.86 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine is sourced from PubChem (CID 170197390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).