4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol

C15H16FNO2 — CID 114331841

IUPAC4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
SMILESOc1ccc(CNCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO2/c16-13-3-1-2-12(8-13)15(19)10-17-9-11-4-6-14(18)7-5-11/h1-8,15,17-19H,9-10H2
InChIKeyFEIDPWDGJQAYKO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.35
Rot. Bonds5

About 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol

4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol (PubChem CID 114331841) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
PubChem CID114331841
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol
SMILESOc1ccc(CNCC(O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO2/c16-13-3-1-2-12(8-13)15(19)10-17-9-11-4-6-14(18)7-5-11/h1-8,15,17-19H,9-10H2
InChIKeyFEIDPWDGJQAYKO-UHFFFAOYSA-N
XLogP2.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
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2-(4-ethylanilino)-1-(3-fluorophenyl)ethanol
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1-(3-fluorophenyl)-2-(octylamino)ethanol
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1-[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]-4,4-dimethylpentan-2-ol
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1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol?
The IUPAC name of 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol (CID 114331841) is 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol is Oc1ccc(CNCC(O)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol?
The InChIKey is FEIDPWDGJQAYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-3-1-2-12(8-13)15(19)10-17-9-11-4-6-14(18)7-5-11/h1-8,15,17-19H,9-10H2.
What are the key properties of 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol?
4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol has a molecular weight of 261.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenol is sourced from PubChem (CID 114331841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).