1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride

C19H27Cl2FN2O2 — CID 17295165

IUPAC1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1cccc(OCc2ccc(F)cc2)c1.Cl.Cl
InChIInChI=1S/C19H25FN2O2.2ClH/c1-15(23)12-21-9-10-22-13-17-3-2-4-19(11-17)24-14-16-5-7-18(20)8-6-16;;/h2-8,11,15,21-23H,9-10,12-14H2,1H3;2*1H
InChIKeyJMFSDFQZVXNKHP-UHFFFAOYSA-N
MW405.34 g/mol
LogP3.31
Rot. Bonds10

About 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride

1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride (PubChem CID 17295165) has the molecular formula C19H27Cl2FN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
PubChem CID17295165
Molecular FormulaC19H27Cl2FN2O2
Molecular Weight405.34 g/mol
Exact Mass404.14
IUPAC Name1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1cccc(OCc2ccc(F)cc2)c1.Cl.Cl
InChIInChI=1S/C19H25FN2O2.2ClH/c1-15(23)12-21-9-10-22-13-17-3-2-4-19(11-17)24-14-16-5-7-18(20)8-6-16;;/h2-8,11,15,21-23H,9-10,12-14H2,1H3;2*1H
InChIKeyJMFSDFQZVXNKHP-UHFFFAOYSA-N
XLogP3.31
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 53.31
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-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295166
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997084
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658
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
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride (CID 17295165) is 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride is CC(O)CNCCNCc1cccc(OCc2ccc(F)cc2)c1.Cl.Cl.
What is the InChIKey of 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The InChIKey is JMFSDFQZVXNKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2.2ClH/c1-15(23)12-21-9-10-22-13-17-3-2-4-19(11-17)24-14-16-5-7-18(20)8-6-16;;/h2-8,11,15,21-23H,9-10,12-14H2,1H3;2*1H.
What are the key properties of 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride has a molecular weight of 405.34 g/mol, XLogP of 3.31, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride is sourced from PubChem (CID 17295165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).