3-fluoro-5-propoxyaniline

C9H12FNO — CID 80752315

IUPAC3-fluoro-5-propoxyaniline
SMILESCCCOc1cc(N)cc(F)c1
InChIInChI=1S/C9H12FNO/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6H,2-3,11H2,1H3
InChIKeyRYBMGKJTKKKGDP-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.20
Rot. Bonds3

About 3-fluoro-5-propoxyaniline

3-fluoro-5-propoxyaniline (PubChem CID 80752315) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-fluoro-5-propoxyaniline.

Molecular Properties

Compound Name3-fluoro-5-propoxyaniline
PubChem CID80752315
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-fluoro-5-propoxyaniline
SMILESCCCOc1cc(N)cc(F)c1
InChIInChI=1S/C9H12FNO/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6H,2-3,11H2,1H3
InChIKeyRYBMGKJTKKKGDP-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-propoxyaniline
CID 102721621
3-(2,5-difluorophenyl)sulfanyl-5-propoxyaniline
CID 80736854
3-N-(3,5-dichloro-4-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107571590
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
3-[2-(dimethylamino)-2-methylpropoxy]-5-fluoroaniline
CID 80752743
3-fluoro-5-propoxybenzoic acid
CID 91636267
3-cyclopentyloxy-5-propoxyaniline
CID 80749428
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
1-(3-fluoro-5-propoxyphenyl)propan-1-one
CID 91655290
3-(4-bromo-2-fluorophenoxy)-5-propoxyaniline
CID 80748838

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propoxyaniline?
The IUPAC name of 3-fluoro-5-propoxyaniline (CID 80752315) is 3-fluoro-5-propoxyaniline.
What is the SMILES notation for 3-fluoro-5-propoxyaniline?
The canonical SMILES for 3-fluoro-5-propoxyaniline is CCCOc1cc(N)cc(F)c1.
What is the InChIKey of 3-fluoro-5-propoxyaniline?
The InChIKey is RYBMGKJTKKKGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6H,2-3,11H2,1H3.
What are the key properties of 3-fluoro-5-propoxyaniline?
3-fluoro-5-propoxyaniline has a molecular weight of 169.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propoxyaniline is sourced from PubChem (CID 80752315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).