5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride

C18H23ClFNO2 — CID 139814633

IUPAC5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
SMILESCl.NCCCCCOc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO2.ClH/c19-16-6-4-5-15(13-16)14-22-18-9-7-17(8-10-18)21-12-3-1-2-11-20;/h4-10,13H,1-3,11-12,14,20H2;1H
InChIKeyFXJCZLNTQGMMOC-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.33
Rot. Bonds9

About 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride

5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride (PubChem CID 139814633) has the molecular formula C18H23ClFNO2 and a molecular weight of 339.84 g/mol. Its IUPAC name is 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
PubChem CID139814633
Molecular FormulaC18H23ClFNO2
Molecular Weight339.84 g/mol
Exact Mass339.14
IUPAC Name5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
SMILESCl.NCCCCCOc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H22FNO2.ClH/c19-16-6-4-5-15(13-16)14-22-18-9-7-17(8-10-18)21-12-3-1-2-11-20;/h4-10,13H,1-3,11-12,14,20H2;1H
InChIKeyFXJCZLNTQGMMOC-UHFFFAOYSA-N
XLogP4.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 16720538
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
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1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
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CID 119283185
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride?
The IUPAC name of 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride (CID 139814633) is 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride.
What is the SMILES notation for 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride?
The canonical SMILES for 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride is Cl.NCCCCCOc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride?
The InChIKey is FXJCZLNTQGMMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2.ClH/c19-16-6-4-5-15(13-16)14-22-18-9-7-17(8-10-18)21-12-3-1-2-11-20;/h4-10,13H,1-3,11-12,14,20H2;1H.
What are the key properties of 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride?
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride has a molecular weight of 339.84 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride is sourced from PubChem (CID 139814633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).