1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol

C24H26FNO2 — CID 4852527

IUPAC1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccc(C(OCC(O)CNCc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H26FNO2/c1-18-7-11-21(12-8-18)24(20-5-3-2-4-6-20)28-17-23(27)16-26-15-19-9-13-22(25)14-10-19/h2-14,23-24,26-27H,15-17H2,1H3
InChIKeyUEZPBJVNXRYERI-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.39
Rot. Bonds9

About 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol

1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol (PubChem CID 4852527) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol
PubChem CID4852527
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol
SMILESCc1ccc(C(OCC(O)CNCc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H26FNO2/c1-18-7-11-21(12-8-18)24(20-5-3-2-4-6-20)28-17-23(27)16-26-15-19-9-13-22(25)14-10-19/h2-14,23-24,26-27H,15-17H2,1H3
InChIKeyUEZPBJVNXRYERI-UHFFFAOYSA-N
XLogP4.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol (CID 4852527) is 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol is Cc1ccc(C(OCC(O)CNCc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol?
The InChIKey is UEZPBJVNXRYERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c1-18-7-11-21(12-8-18)24(20-5-3-2-4-6-20)28-17-23(27)16-26-15-19-9-13-22(25)14-10-19/h2-14,23-24,26-27H,15-17H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol?
1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol has a molecular weight of 379.48 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylamino]-3-[(4-methylphenyl)-phenylmethoxy]propan-2-ol is sourced from PubChem (CID 4852527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).