4-[3-(3-fluorophenoxy)propyl]aniline

C15H16FNO — CID 113384386

IUPAC4-[3-(3-fluorophenoxy)propyl]aniline
SMILESNc1ccc(CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO/c16-13-4-1-5-15(11-13)18-10-2-3-12-6-8-14(17)9-7-12/h1,4-9,11H,2-3,10,17H2
InChIKeyZQUQNFYVTZMUDG-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.42
Rot. Bonds5

About 4-[3-(3-fluorophenoxy)propyl]aniline

4-[3-(3-fluorophenoxy)propyl]aniline (PubChem CID 113384386) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[3-(3-fluorophenoxy)propyl]aniline.

Molecular Properties

Compound Name4-[3-(3-fluorophenoxy)propyl]aniline
PubChem CID113384386
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-[3-(3-fluorophenoxy)propyl]aniline
SMILESNc1ccc(CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO/c16-13-4-1-5-15(11-13)18-10-2-3-12-6-8-14(17)9-7-12/h1,4-9,11H,2-3,10,17H2
InChIKeyZQUQNFYVTZMUDG-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
4-[3-(3-fluorophenyl)sulfanylpropyl]aniline
CID 113384450
5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
CID 43259980
2-(3-fluorophenoxy)ethanethiol
CID 79002331
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
4-[3-(4-bromo-3,5-dimethylphenoxy)propyl]aniline
CID 107724479
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
N-[(2R)-5-[4-[3-(3-fluorophenoxy)propyl]phenyl]-1-methoxy-3-oxopentan-2-yl]acetamide
CID 58115530
1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene
CID 141301748
4-[2-(3-chloro-4-fluorophenoxy)ethyl]aniline
CID 55258225

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenoxy)propyl]aniline?
The IUPAC name of 4-[3-(3-fluorophenoxy)propyl]aniline (CID 113384386) is 4-[3-(3-fluorophenoxy)propyl]aniline.
What is the SMILES notation for 4-[3-(3-fluorophenoxy)propyl]aniline?
The canonical SMILES for 4-[3-(3-fluorophenoxy)propyl]aniline is Nc1ccc(CCCOc2cccc(F)c2)cc1.
What is the InChIKey of 4-[3-(3-fluorophenoxy)propyl]aniline?
The InChIKey is ZQUQNFYVTZMUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-13-4-1-5-15(11-13)18-10-2-3-12-6-8-14(17)9-7-12/h1,4-9,11H,2-3,10,17H2.
What are the key properties of 4-[3-(3-fluorophenoxy)propyl]aniline?
4-[3-(3-fluorophenoxy)propyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenoxy)propyl]aniline is sourced from PubChem (CID 113384386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).