1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

C24H26FNO2 — CID 46007952

IUPAC1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN(Cc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C24H26FNO2/c25-23-13-7-12-22(14-23)16-26(15-20-8-3-1-4-9-20)17-24(27)19-28-18-21-10-5-2-6-11-21/h1-14,24,27H,15-19H2
InChIKeyBZCJWBODSLCZIW-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.41
Rot. Bonds10

About 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol

1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (PubChem CID 46007952) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
PubChem CID46007952
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CN(Cc1ccccc1)Cc1cccc(F)c1
InChIInChI=1S/C24H26FNO2/c25-23-13-7-12-22(14-23)16-26(15-20-8-3-1-4-9-20)17-24(27)19-28-18-21-10-5-2-6-11-21/h1-14,24,27H,15-19H2
InChIKeyBZCJWBODSLCZIW-UHFFFAOYSA-N
XLogP4.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol (CID 46007952) is 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CN(Cc1ccccc1)Cc1cccc(F)c1.
What is the InChIKey of 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
The InChIKey is BZCJWBODSLCZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c25-23-13-7-12-22(14-23)16-26(15-20-8-3-1-4-9-20)17-24(27)19-28-18-21-10-5-2-6-11-21/h1-14,24,27H,15-19H2.
What are the key properties of 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol?
1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol has a molecular weight of 379.48 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 46007952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).