4-[(3-fluorophenyl)methoxy]aniline;hydrochloride

C13H13ClFNO — CID 22055258

IUPAC4-[(3-fluorophenyl)methoxy]aniline;hydrochloride
SMILESCl.Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C13H12FNO.ClH/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13;/h1-8H,9,15H2;1H
InChIKeyYVZBGEKZPDVZOF-UHFFFAOYSA-N
MW253.70 g/mol
LogP3.41
Rot. Bonds3

About 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride

4-[(3-fluorophenyl)methoxy]aniline;hydrochloride (PubChem CID 22055258) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]aniline;hydrochloride
PubChem CID22055258
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name4-[(3-fluorophenyl)methoxy]aniline;hydrochloride
SMILESCl.Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C13H12FNO.ClH/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13;/h1-8H,9,15H2;1H
InChIKeyYVZBGEKZPDVZOF-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxyaniline
CID 9076
4,4'-Diaminodiphenyl Ether
CID 7579
4-Hexyloxyaniline
CID 38360
2-Methyl-4-methoxyaniline
CID 7610
4-Benzyloxyaniline
CID 22860
4-Butyloxyaniline
CID 20352
2-(o-Tolyloxy)aniline
CID 19692
(4-Aminophenoxy)benzene
CID 8764
3-Benzyloxyaniline
CID 92892
2-Benzyloxyaniline
CID 240548
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
Benzenamine, 4-propoxy-
CID 78221

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride (CID 22055258) is 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride is Cl.Nc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride?
The InChIKey is YVZBGEKZPDVZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO.ClH/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13;/h1-8H,9,15H2;1H.
What are the key properties of 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride?
4-[(3-fluorophenyl)methoxy]aniline;hydrochloride has a molecular weight of 253.70 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]aniline;hydrochloride is sourced from PubChem (CID 22055258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).