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

C18H21NO2 — CID 25188770

IUPAC(2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
SMILESCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)21-18(15-8-3-2-4-9-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1
InChIKeyBTDIKAPSRZPGSC-ROUUACIJSA-N
MW283.37 g/mol
LogP3.10
Rot. Bonds4

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

(2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine (PubChem CID 25188770) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
PubChem CID25188770
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
SMILESCc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)21-18(15-8-3-2-4-9-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1
InChIKeyBTDIKAPSRZPGSC-ROUUACIJSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.10
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-methylphenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine (CID 25188770) is (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine is Cc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine?
The InChIKey is BTDIKAPSRZPGSC-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)21-18(15-8-3-2-4-9-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine?
(2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine has a molecular weight of 283.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 25188770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).