2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline

C14H20FNO2 — CID 112568490

IUPAC2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC1CC(OCC)C1
InChIInChI=1S/C14H20FNO2/c1-3-17-12-8-11(9-12)16-13-6-5-10(15)7-14(13)18-4-2/h5-7,11-12,16H,3-4,8-9H2,1-2H3
InChIKeyPRCOWLBATCLJFZ-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.20
Rot. Bonds6

About 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline

2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline (PubChem CID 112568490) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline.

Molecular Properties

Compound Name2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
PubChem CID112568490
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
SMILESCCOc1cc(F)ccc1NC1CC(OCC)C1
InChIInChI=1S/C14H20FNO2/c1-3-17-12-8-11(9-12)16-13-6-5-10(15)7-14(13)18-4-2/h5-7,11-12,16H,3-4,8-9H2,1-2H3
InChIKeyPRCOWLBATCLJFZ-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43730168
N-(2-ethoxy-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43730186
N-(2-ethoxy-4-fluorophenyl)-1-oxothian-4-amine
CID 54981381
N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43730188
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
N-(2-ethoxy-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43787969
N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
CID 112573160
4-bromo-N-(3-ethoxycyclobutyl)-2-(trifluoromethoxy)aniline
CID 103193031
N-(2-ethoxy-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43730175
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43730192

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
The IUPAC name of 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline (CID 112568490) is 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline.
What is the SMILES notation for 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
The canonical SMILES for 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline is CCOc1cc(F)ccc1NC1CC(OCC)C1.
What is the InChIKey of 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
The InChIKey is PRCOWLBATCLJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-17-12-8-11(9-12)16-13-6-5-10(15)7-14(13)18-4-2/h5-7,11-12,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline?
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline has a molecular weight of 253.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline is sourced from PubChem (CID 112568490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).