2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline

C18H20FNO — CID 43730168

IUPAC2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline
SMILESCCOc1cc(F)ccc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C18H20FNO/c1-2-21-18-12-15(19)8-9-17(18)20-16-10-14(11-16)13-6-4-3-5-7-13/h3-9,12,14,16,20H,2,10-11H2,1H3
InChIKeyNKGQMRYVSWRANR-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.58
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline

2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline (PubChem CID 43730168) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline
PubChem CID43730168
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline
SMILESCCOc1cc(F)ccc1NC1CC(c2ccccc2)C1
InChIInChI=1S/C18H20FNO/c1-2-21-18-12-15(19)8-9-17(18)20-16-10-14(11-16)13-6-4-3-5-7-13/h3-9,12,14,16,20H,2,10-11H2,1H3
InChIKeyNKGQMRYVSWRANR-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxy-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 43730188
2-ethoxy-N-(3-ethoxycyclobutyl)-4-fluoroaniline
CID 112568490
N-(2-ethoxy-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43787969
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)-1-ethylazepan-4-amine
CID 65074721
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
N-[3-(3-fluorophenyl)cyclobutyl]-2-propylaniline
CID 43687441
2,3,5-trifluoro-N-(3-phenylcyclobutyl)aniline
CID 62810502
4-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632156
2-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632160
N-(2-ethoxy-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43730175

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline (CID 43730168) is 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline is CCOc1cc(F)ccc1NC1CC(c2ccccc2)C1.
What is the InChIKey of 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline?
The InChIKey is NKGQMRYVSWRANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-21-18-12-15(19)8-9-17(18)20-16-10-14(11-16)13-6-4-3-5-7-13/h3-9,12,14,16,20H,2,10-11H2,1H3.
What are the key properties of 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline?
2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline has a molecular weight of 285.36 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-(3-phenylcyclobutyl)aniline is sourced from PubChem (CID 43730168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).