1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol

C18H22FNO2 — CID 70336048

IUPAC1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol
SMILESCOCCNCCC(O)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-22-14-13-20-12-11-18(21,15-7-3-2-4-8-15)16-9-5-6-10-17(16)19/h2-10,20-21H,11-14H2,1H3
InChIKeyJXOWVKCZZSGFGK-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.69
Rot. Bonds8

About 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol

1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol (PubChem CID 70336048) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol
PubChem CID70336048
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol
SMILESCOCCNCCC(O)(c1ccccc1)c1ccccc1F
InChIInChI=1S/C18H22FNO2/c1-22-14-13-20-12-11-18(21,15-7-3-2-4-8-15)16-9-5-6-10-17(16)19/h2-10,20-21H,11-14H2,1H3
InChIKeyJXOWVKCZZSGFGK-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-difluorophenyl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
CID 66003267
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
1-(2-fluorophenyl)-1,2-diphenylethanol
CID 66572227
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-(2,4-difluorophenyl)-4-(2-methoxyethylamino)butan-2-ol
CID 66002495
4-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-1-phenylbutan-1-ol
CID 19909925
1-(2-methoxyethylamino)-3-methyl-6-phenylhexan-3-ol
CID 66002686
N-[2-(2,6-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 81269641
1-(2-fluorophenyl)-1-(4-methylphenyl)propan-1-ol
CID 112679383
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
2-ethyl-N-(2-methoxyethyl)-2-(2-methylphenyl)butan-1-amine
CID 62596589

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol (CID 70336048) is 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol is COCCNCCC(O)(c1ccccc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol?
The InChIKey is JXOWVKCZZSGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-22-14-13-20-12-11-18(21,15-7-3-2-4-8-15)16-9-5-6-10-17(16)19/h2-10,20-21H,11-14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol?
1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol has a molecular weight of 303.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methoxyethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 70336048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).