4-ethoxy-N-ethyl-3-fluoroaniline

C10H14FNO — CID 82490729

IUPAC4-ethoxy-N-ethyl-3-fluoroaniline
SMILESCCNc1ccc(OCC)c(F)c1
InChIInChI=1S/C10H14FNO/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7,12H,3-4H2,1-2H3
InChIKeyNVDCPTWYSHOIFD-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.66
Rot. Bonds4

About 4-ethoxy-N-ethyl-3-fluoroaniline

4-ethoxy-N-ethyl-3-fluoroaniline (PubChem CID 82490729) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-3-fluoroaniline
PubChem CID82490729
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-ethoxy-N-ethyl-3-fluoroaniline
SMILESCCNc1ccc(OCC)c(F)c1
InChIInChI=1S/C10H14FNO/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7,12H,3-4H2,1-2H3
InChIKeyNVDCPTWYSHOIFD-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
N-(4-ethoxy-3-fluorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206242
1-N-(4-ethoxy-3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115222000
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
N-(2-butoxyethyl)-4-ethoxy-3-fluoroaniline
CID 113399744
N-[(2,4-difluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 115587219
4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 112685466
4-ethoxy-3-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 115743256
4-ethoxy-3-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 112685476

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-3-fluoroaniline?
The IUPAC name of 4-ethoxy-N-ethyl-3-fluoroaniline (CID 82490729) is 4-ethoxy-N-ethyl-3-fluoroaniline.
What is the SMILES notation for 4-ethoxy-N-ethyl-3-fluoroaniline?
The canonical SMILES for 4-ethoxy-N-ethyl-3-fluoroaniline is CCNc1ccc(OCC)c(F)c1.
What is the InChIKey of 4-ethoxy-N-ethyl-3-fluoroaniline?
The InChIKey is NVDCPTWYSHOIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethyl-3-fluoroaniline?
4-ethoxy-N-ethyl-3-fluoroaniline has a molecular weight of 183.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 82490729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).