2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol

C19H24FNO2 — CID 24713865

IUPAC2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol
SMILESCOCCCN(Cc1ccc(F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C19H24FNO2/c1-23-13-5-12-21(14-16-8-10-18(20)11-9-16)15-19(22)17-6-3-2-4-7-17/h2-4,6-11,19,22H,5,12-15H2,1H3
InChIKeyLIDVLWZOCLVANN-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.40
Rot. Bonds9

About 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol

2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol (PubChem CID 24713865) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol
PubChem CID24713865
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol
SMILESCOCCCN(Cc1ccc(F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C19H24FNO2/c1-23-13-5-12-21(14-16-8-10-18(20)11-9-16)15-19(22)17-6-3-2-4-7-17/h2-4,6-11,19,22H,5,12-15H2,1H3
InChIKeyLIDVLWZOCLVANN-UHFFFAOYSA-N
XLogP3.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etafedrine
CID 94532
Cinnamedrine
CID 5370611
[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
4-Morpholineethanol, alpha-phenyl-
CID 20491
Eprozinol
CID 122553
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
2-(Benzylamino)-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
CID 23647917
1-(2-Ethoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426817
2-(Benzylamino)-1-phenylethanol
CID 229746
2-(4-Benzylpiperazino)-1-phenyl-1-ethanol
CID 2767001
3-Morpholin-4-yl-1-phenylpropan-1-ol
CID 3152333
2-[(4-Ethylphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 6459920

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol (CID 24713865) is 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol is COCCCN(Cc1ccc(F)cc1)CC(O)c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol?
The InChIKey is LIDVLWZOCLVANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-23-13-5-12-21(14-16-8-10-18(20)11-9-16)15-19(22)17-6-3-2-4-7-17/h2-4,6-11,19,22H,5,12-15H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol?
2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol has a molecular weight of 317.40 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol is sourced from PubChem (CID 24713865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).