3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine

C19H26FNO — CID 75446717

IUPAC3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CC(c3ccc(F)cc3)C2)C12CCC2
InChIInChI=1S/C19H26FNO/c1-2-22-18-12-17(19(18)8-3-9-19)21-16-10-14(11-16)13-4-6-15(20)7-5-13/h4-7,14,16-18,21H,2-3,8-12H2,1H3
InChIKeyHJBOLBKDYODKDQ-UHFFFAOYSA-N
MW303.42 g/mol
LogP4.01
Rot. Bonds5

About 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine (PubChem CID 75446717) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine
PubChem CID75446717
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC Name3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC2CC(c3ccc(F)cc3)C2)C12CCC2
InChIInChI=1S/C19H26FNO/c1-2-22-18-12-17(19(18)8-3-9-19)21-16-10-14(11-16)13-4-6-15(20)7-5-13/h4-7,14,16-18,21H,2-3,8-12H2,1H3
InChIKeyHJBOLBKDYODKDQ-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

US11214540, Example 66
CID 155139308
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 71907393
2-[4-(4-Fluorophenyl)-2-isopropyltetrahydropyran-4-yl]ethylamine
CID 129869614
N-[(3S)-2-methyl-2-phenylpentan-3-yl]oxan-4-amine
CID 97322922
3-methyl-N-[1-(oxolan-2-yl)propyl]-3-phenylcyclobutan-1-amine
CID 121579185
N-[(2-fluorophenyl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 132283112
(3R)-3-phenyl-4-[(3-propan-2-yloxycyclobutyl)amino]butan-1-ol
CID 164626733
N-(2-ethoxyethyl)-4-[1-(4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
CID 89655067
N-(2-ethoxyethyl)-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylbutan-1-amine
CID 89928620
N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine
CID 121380472
N-[(2S)-2-(2-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine
CID 121380484
N-(2-ethylbutyl)-5-[2-(4-fluorophenyl)ethoxy]-5-methylhexan-2-amine
CID 138545674

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine (CID 75446717) is 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine is CCOC1CC(NC2CC(c3ccc(F)cc3)C2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine?
The InChIKey is HJBOLBKDYODKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO/c1-2-22-18-12-17(19(18)8-3-9-19)21-16-10-14(11-16)13-4-6-15(20)7-5-13/h4-7,14,16-18,21H,2-3,8-12H2,1H3.
What are the key properties of 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine has a molecular weight of 303.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-(4-fluorophenyl)cyclobutyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 75446717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).