1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol

C23H23F2NO — CID 46007676

IUPAC1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccccc1F
InChIInChI=1S/C23H23F2NO/c24-21-12-10-19(11-13-21)15-26(16-20-8-4-5-9-23(20)25)17-22(27)14-18-6-2-1-3-7-18/h1-13,22,27H,14-17H2
InChIKeyCPPYRWYTDQXEGJ-UHFFFAOYSA-N
MW367.44 g/mol
LogP4.57
Rot. Bonds8

About 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol

1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol (PubChem CID 46007676) has the molecular formula C23H23F2NO and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
PubChem CID46007676
Molecular FormulaC23H23F2NO
Molecular Weight367.44 g/mol
Exact Mass367.17
IUPAC Name1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccccc1F
InChIInChI=1S/C23H23F2NO/c24-21-12-10-19(11-13-21)15-26(16-20-8-4-5-9-23(20)25)17-22(27)14-18-6-2-1-3-7-18/h1-13,22,27H,14-17H2
InChIKeyCPPYRWYTDQXEGJ-UHFFFAOYSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol (CID 46007676) is 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol is OC(Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is CPPYRWYTDQXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO/c24-21-12-10-19(11-13-21)15-26(16-20-8-4-5-9-23(20)25)17-22(27)14-18-6-2-1-3-7-18/h1-13,22,27H,14-17H2.
What are the key properties of 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 367.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 46007676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).