3-(cyclopropylmethoxy)-5-fluoroaniline

C10H12FNO — CID 80751840

IUPAC3-(cyclopropylmethoxy)-5-fluoroaniline
SMILESNc1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C10H12FNO/c11-8-3-9(12)5-10(4-8)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKeyIUPNYFKPUBAIPL-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.20
Rot. Bonds3

About 3-(cyclopropylmethoxy)-5-fluoroaniline

3-(cyclopropylmethoxy)-5-fluoroaniline (PubChem CID 80751840) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-5-fluoroaniline.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-5-fluoroaniline
PubChem CID80751840
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(cyclopropylmethoxy)-5-fluoroaniline
SMILESNc1cc(F)cc(OCC2CC2)c1
InChIInChI=1S/C10H12FNO/c11-8-3-9(12)5-10(4-8)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKeyIUPNYFKPUBAIPL-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
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-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
CID 81332154
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
3-fluoro-5-propoxyaniline
CID 80752315
3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol
CID 146557307
1-(cyclobutylidenemethyl)-3-(cyclopropylmethoxy)-5-fluorobenzene
CID 142360754
(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine
CID 135220431
3-(3-ethylcyclohexyl)oxy-5-fluoroaniline
CID 80752534
3-(cyclohexylmethoxy)-5-methylaniline
CID 112648470
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81326455

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-5-fluoroaniline?
The IUPAC name of 3-(cyclopropylmethoxy)-5-fluoroaniline (CID 80751840) is 3-(cyclopropylmethoxy)-5-fluoroaniline.
What is the SMILES notation for 3-(cyclopropylmethoxy)-5-fluoroaniline?
The canonical SMILES for 3-(cyclopropylmethoxy)-5-fluoroaniline is Nc1cc(F)cc(OCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-5-fluoroaniline?
The InChIKey is IUPNYFKPUBAIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-3-9(12)5-10(4-8)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2.
What are the key properties of 3-(cyclopropylmethoxy)-5-fluoroaniline?
3-(cyclopropylmethoxy)-5-fluoroaniline has a molecular weight of 181.21 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-(cyclopropylmethoxy)-5-fluoroaniline is sourced from PubChem (CID 80751840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).