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

C20H26FNO2 — CID 24713351

IUPAC1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol
SMILESCOCCCN(Cc1ccccc1F)CC(O)Cc1ccccc1
InChIInChI=1S/C20H26FNO2/c1-24-13-7-12-22(15-18-10-5-6-11-20(18)21)16-19(23)14-17-8-3-2-4-9-17/h2-6,8-11,19,23H,7,12-16H2,1H3
InChIKeyOTAJFSTWNLMDJQ-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.27
Rot. Bonds10

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

1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol (PubChem CID 24713351) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol
PubChem CID24713351
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol
SMILESCOCCCN(Cc1ccccc1F)CC(O)Cc1ccccc1
InChIInChI=1S/C20H26FNO2/c1-24-13-7-12-22(15-18-10-5-6-11-20(18)21)16-19(23)14-17-8-3-2-4-9-17/h2-6,8-11,19,23H,7,12-16H2,1H3
InChIKeyOTAJFSTWNLMDJQ-UHFFFAOYSA-N
XLogP3.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol (CID 24713351) is 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol is COCCCN(Cc1ccccc1F)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol?
The InChIKey is OTAJFSTWNLMDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-24-13-7-12-22(15-18-10-5-6-11-20(18)21)16-19(23)14-17-8-3-2-4-9-17/h2-6,8-11,19,23H,7,12-16H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol?
1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol has a molecular weight of 331.43 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 24713351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).