1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol

C23H30F2N2O3 — CID 46007902

IUPAC1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN(CCN1CCOCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C23H30F2N2O3/c24-21-7-6-20(23(25)14-21)15-27(9-8-26-10-12-29-13-11-26)16-22(28)18-30-17-19-4-2-1-3-5-19/h1-7,14,22,28H,8-13,15-18H2
InChIKeyXJVYJMJIZMUSON-UHFFFAOYSA-N
MW420.50 g/mol
LogP2.68
Rot. Bonds11

About 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol

1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol (PubChem CID 46007902) has the molecular formula C23H30F2N2O3 and a molecular weight of 420.50 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol
PubChem CID46007902
Molecular FormulaC23H30F2N2O3
Molecular Weight420.50 g/mol
Exact Mass420.22
IUPAC Name1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN(CCN1CCOCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C23H30F2N2O3/c24-21-7-6-20(23(25)14-21)15-27(9-8-26-10-12-29-13-11-26)16-22(28)18-30-17-19-4-2-1-3-5-19/h1-7,14,22,28H,8-13,15-18H2
InChIKeyXJVYJMJIZMUSON-UHFFFAOYSA-N
XLogP2.68
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol (CID 46007902) is 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN(CCN1CCOCC1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is XJVYJMJIZMUSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O3/c24-21-7-6-20(23(25)14-21)15-27(9-8-26-10-12-29-13-11-26)16-22(28)18-30-17-19-4-2-1-3-5-19/h1-7,14,22,28H,8-13,15-18H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol?
1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 420.50 g/mol, XLogP of 2.68, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 46007902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).