(2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine

C23H29NO2 — CID 59166998

IUPAC(2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine
SMILESc1ccc([C@H](Oc2ccccc2C2CCCCC2)[C@@H]2CNCCO2)cc1
InChIInChI=1S/C23H29NO2/c1-3-9-18(10-4-1)20-13-7-8-14-21(20)26-23(19-11-5-2-6-12-19)22-17-24-15-16-25-22/h2,5-8,11-14,18,22-24H,1,3-4,9-10,15-17H2/t22-,23-/m0/s1
InChIKeyZGJMQCNPKZJEMV-GOTSBHOMSA-N
MW351.49 g/mol
LogP4.84
Rot. Bonds5

About (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine

(2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine (PubChem CID 59166998) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine
PubChem CID59166998
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine
SMILESc1ccc([C@H](Oc2ccccc2C2CCCCC2)[C@@H]2CNCCO2)cc1
InChIInChI=1S/C23H29NO2/c1-3-9-18(10-4-1)20-13-7-8-14-21(20)26-23(19-11-5-2-6-12-19)22-17-24-15-16-25-22/h2,5-8,11-14,18,22-24H,1,3-4,9-10,15-17H2/t22-,23-/m0/s1
InChIKeyZGJMQCNPKZJEMV-GOTSBHOMSA-N
XLogP4.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine (CID 59166998) is (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine is c1ccc([C@H](Oc2ccccc2C2CCCCC2)[C@@H]2CNCCO2)cc1.
What is the InChIKey of (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine?
The InChIKey is ZGJMQCNPKZJEMV-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-9-18(10-4-1)20-13-7-8-14-21(20)26-23(19-11-5-2-6-12-19)22-17-24-15-16-25-22/h2,5-8,11-14,18,22-24H,1,3-4,9-10,15-17H2/t22-,23-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine?
(2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine has a molecular weight of 351.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-cyclohexylphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 59166998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).