[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium

C19H24ClFNO2+ — CID 2219244

IUPAC[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium
SMILESCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H23ClFNO2/c1-2-23-11-3-10-22-13-16-12-17(20)6-9-19(16)24-14-15-4-7-18(21)8-5-15/h4-9,12,22H,2-3,10-11,13-14H2,1H3/p+1
InChIKeyVSSAKZJKKCFDEN-UHFFFAOYSA-O
MW352.86 g/mol
LogP3.55
Rot. Bonds10

About [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium

[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium (PubChem CID 2219244) has the molecular formula C19H24ClFNO2+ and a molecular weight of 352.86 g/mol. Its IUPAC name is [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium.

Molecular Properties

Compound Name[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium
PubChem CID2219244
Molecular FormulaC19H24ClFNO2+
Molecular Weight352.86 g/mol
Exact Mass352.15
IUPAC Name[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium
SMILESCCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H23ClFNO2/c1-2-23-11-3-10-22-13-16-12-17(20)6-9-19(16)24-14-15-4-7-18(21)8-5-15/h4-9,12,22H,2-3,10-11,13-14H2,1H3/p+1
InChIKeyVSSAKZJKKCFDEN-UHFFFAOYSA-O
XLogP3.55
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxypropyl-[(4-fluorophenyl)methyl]azanium
CID 5194706
4-[[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27110005
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290821
[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-cyclooctylazanium
CID 8620818
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 66529477
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720979
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4716351
(4-bromophenyl)methyl-(3-ethoxypropyl)azanium
CID 7951677
4-[[(5-chloro-2-ethoxyphenyl)methylazaniumyl]methyl]benzoate
CID 40725772

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium?
The IUPAC name of [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium (CID 2219244) is [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium.
What is the SMILES notation for [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium?
The canonical SMILES for [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium is CCOCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1.
What is the InChIKey of [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium?
The InChIKey is VSSAKZJKKCFDEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClFNO2/c1-2-23-11-3-10-22-13-16-12-17(20)6-9-19(16)24-14-15-4-7-18(21)8-5-15/h4-9,12,22H,2-3,10-11,13-14H2,1H3/p+1.
What are the key properties of [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium?
[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium has a molecular weight of 352.86 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium is sourced from PubChem (CID 2219244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).