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

C18H25Cl2FN2O2 — CID 17295166

IUPAC2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2O2.2ClH/c19-17-6-4-15(5-7-17)14-23-18-3-1-2-16(12-18)13-21-9-8-20-10-11-22;;/h1-7,12,20-22H,8-11,13-14H2;2*1H
InChIKeyRVMVDWJIIBWNAE-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.92
Rot. Bonds10

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

2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17295166) has the molecular formula C18H25Cl2FN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17295166
Molecular FormulaC18H25Cl2FN2O2
Molecular Weight391.31 g/mol
Exact Mass390.13
IUPAC Name2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2O2.2ClH/c19-17-6-4-15(5-7-17)14-23-18-3-1-2-16(12-18)13-21-9-8-20-10-11-22;;/h1-7,12,20-22H,8-11,13-14H2;2*1H
InChIKeyRVMVDWJIIBWNAE-UHFFFAOYSA-N
XLogP2.92
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
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
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
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-(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-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride (CID 17295166) is 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCNCc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is RVMVDWJIIBWNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2.2ClH/c19-17-6-4-15(5-7-17)14-23-18-3-1-2-16(12-18)13-21-9-8-20-10-11-22;;/h1-7,12,20-22H,8-11,13-14H2;2*1H.
What are the key properties of 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 391.31 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17295166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).