2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride

C16H19ClFNO2 — CID 2950906

IUPAC2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2.ClH/c17-15-6-4-13(5-7-15)12-20-16-3-1-2-14(10-16)11-18-8-9-19;/h1-7,10,18-19H,8-9,11-12H2;1H
InChIKeyBAYPAZDUTWPFMW-UHFFFAOYSA-N
MW311.78 g/mol
LogP2.91
Rot. Bonds7

About 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride

2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride (PubChem CID 2950906) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
PubChem CID2950906
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2.ClH/c17-15-6-4-13(5-7-15)12-20-16-3-1-2-14(10-16)11-18-8-9-19;/h1-7,10,18-19H,8-9,11-12H2;1H
InChIKeyBAYPAZDUTWPFMW-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 52.91
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

2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295166
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295165
N',N'-dibutyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214569
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658
4-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292932
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715475
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
2-(cyclohexen-1-yl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17210091
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride (CID 2950906) is 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride is Cl.OCCNCc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
The InChIKey is BAYPAZDUTWPFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2.ClH/c17-15-6-4-13(5-7-15)12-20-16-3-1-2-14(10-16)11-18-8-9-19;/h1-7,10,18-19H,8-9,11-12H2;1H.
What are the key properties of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride?
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride has a molecular weight of 311.78 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 2950906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).