4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine

C19H21F2NO — CID 72737725

IUPAC4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
SMILESFc1cccc(F)c1CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H21F2NO/c20-18-7-4-8-19(21)17(18)14-22-11-12-23-16(13-22)10-9-15-5-2-1-3-6-15/h1-8,16H,9-14H2
InChIKeyHDNMIRYVRHVDRQ-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.80
Rot. Bonds5

About 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine

4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine (PubChem CID 72737725) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
PubChem CID72737725
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine
SMILESFc1cccc(F)c1CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H21F2NO/c20-18-7-4-8-19(21)17(18)14-22-11-12-23-16(13-22)10-9-15-5-2-1-3-6-15/h1-8,16H,9-14H2
InChIKeyHDNMIRYVRHVDRQ-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine (CID 72737725) is 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine is Fc1cccc(F)c1CN1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine?
The InChIKey is HDNMIRYVRHVDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO/c20-18-7-4-8-19(21)17(18)14-22-11-12-23-16(13-22)10-9-15-5-2-1-3-6-15/h1-8,16H,9-14H2.
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine?
4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine has a molecular weight of 317.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2-(2-phenylethyl)morpholine is sourced from PubChem (CID 72737725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).