2-cyclopropyloxy-5-ethyl-4-fluoroaniline

C11H14FNO — CID 161010618

IUPAC2-cyclopropyloxy-5-ethyl-4-fluoroaniline
SMILESCCc1cc(N)c(OC2CC2)cc1F
InChIInChI=1S/C11H14FNO/c1-2-7-5-10(13)11(6-9(7)12)14-8-3-4-8/h5-6,8H,2-4,13H2,1H3
InChIKeyTXBRIWULHMEASZ-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.51
Rot. Bonds3

About 2-cyclopropyloxy-5-ethyl-4-fluoroaniline

2-cyclopropyloxy-5-ethyl-4-fluoroaniline (PubChem CID 161010618) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-cyclopropyloxy-5-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name2-cyclopropyloxy-5-ethyl-4-fluoroaniline
PubChem CID161010618
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-cyclopropyloxy-5-ethyl-4-fluoroaniline
SMILESCCc1cc(N)c(OC2CC2)cc1F
InChIInChI=1S/C11H14FNO/c1-2-7-5-10(13)11(6-9(7)12)14-8-3-4-8/h5-6,8H,2-4,13H2,1H3
InChIKeyTXBRIWULHMEASZ-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.51
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

1-cyclopropyloxy-4-ethyl-5-fluoro-2-nitrobenzene
CID 159333833
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
CID 63592899
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981
4-bromo-2-(4,4-dimethylcyclohexyl)oxy-5-fluoroaniline
CID 114340413
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
CID 82508066
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536
(5-amino-2-fluoro-4-methoxyphenyl)methanol
CID 170335540
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-5-ethyl-4-fluoroaniline?
The IUPAC name of 2-cyclopropyloxy-5-ethyl-4-fluoroaniline (CID 161010618) is 2-cyclopropyloxy-5-ethyl-4-fluoroaniline.
What is the SMILES notation for 2-cyclopropyloxy-5-ethyl-4-fluoroaniline?
The canonical SMILES for 2-cyclopropyloxy-5-ethyl-4-fluoroaniline is CCc1cc(N)c(OC2CC2)cc1F.
What is the InChIKey of 2-cyclopropyloxy-5-ethyl-4-fluoroaniline?
The InChIKey is TXBRIWULHMEASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-2-7-5-10(13)11(6-9(7)12)14-8-3-4-8/h5-6,8H,2-4,13H2,1H3.
What are the key properties of 2-cyclopropyloxy-5-ethyl-4-fluoroaniline?
2-cyclopropyloxy-5-ethyl-4-fluoroaniline has a molecular weight of 195.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-5-ethyl-4-fluoroaniline is sourced from PubChem (CID 161010618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).