1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol

C19H24FNO2 — CID 24713118

IUPAC1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1)CC(O)Cc1ccccc1
InChIInChI=1S/C19H24FNO2/c1-23-12-11-21(14-17-7-9-18(20)10-8-17)15-19(22)13-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3
InChIKeyFXXJWQHHXGTKMJ-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.88
Rot. Bonds9

About 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol

1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol (PubChem CID 24713118) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
PubChem CID24713118
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1ccc(F)cc1)CC(O)Cc1ccccc1
InChIInChI=1S/C19H24FNO2/c1-23-12-11-21(14-17-7-9-18(20)10-8-17)15-19(22)13-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3
InChIKeyFXXJWQHHXGTKMJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Alpha-((diethylamino)methyl)phenethyl alcohol
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CID 783344
1-(1-Benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
CID 10088107
2-(4-Fluorophenyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]ethanol;hydrate
CID 44357683
1-(1-Benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride
CID 45262157
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol (CID 24713118) is 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol is COCCN(Cc1ccc(F)cc1)CC(O)Cc1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is FXXJWQHHXGTKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-23-12-11-21(14-17-7-9-18(20)10-8-17)15-19(22)13-16-5-3-2-4-6-16/h2-10,19,22H,11-15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol?
1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 317.40 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 24713118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).