3-fluoro-4-(3-phenylpropoxy)aniline

C15H16FNO — CID 26190137

IUPAC3-fluoro-4-(3-phenylpropoxy)aniline
SMILESNc1ccc(OCCCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2
InChIKeyJIIAFILMYZIRBU-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.42
Rot. Bonds5

About 3-fluoro-4-(3-phenylpropoxy)aniline

3-fluoro-4-(3-phenylpropoxy)aniline (PubChem CID 26190137) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-fluoro-4-(3-phenylpropoxy)aniline.

Molecular Properties

Compound Name3-fluoro-4-(3-phenylpropoxy)aniline
PubChem CID26190137
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-fluoro-4-(3-phenylpropoxy)aniline
SMILESNc1ccc(OCCCc2ccccc2)c(F)c1
InChIInChI=1S/C15H16FNO/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2
InChIKeyJIIAFILMYZIRBU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
1-fluoro-2-(4-phenylbutoxy)benzene
CID 91171700
4-dodecoxy-3-fluoroaniline
CID 63404209
5-fluoro-2-methyl-4-(4-phenylbutoxy)aniline
CID 114416119
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
1-[3-fluoro-4-(4-phenylbutoxy)phenyl]ethanone
CID 114333678
2-fluoro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931336
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
potassium trifluoro-[5-fluoro-2-(3-phenylpropoxy)phenyl]boranuide
CID 113233035
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-phenylpropoxy)aniline?
The IUPAC name of 3-fluoro-4-(3-phenylpropoxy)aniline (CID 26190137) is 3-fluoro-4-(3-phenylpropoxy)aniline.
What is the SMILES notation for 3-fluoro-4-(3-phenylpropoxy)aniline?
The canonical SMILES for 3-fluoro-4-(3-phenylpropoxy)aniline is Nc1ccc(OCCCc2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-phenylpropoxy)aniline?
The InChIKey is JIIAFILMYZIRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2.
What are the key properties of 3-fluoro-4-(3-phenylpropoxy)aniline?
3-fluoro-4-(3-phenylpropoxy)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 3-fluoro-4-(3-phenylpropoxy)aniline is sourced from PubChem (CID 26190137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).