3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine

C18H26FN — CID 64742391

IUPAC3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC2CC(c3ccccc3F)C2)C1
InChIInChI=1S/C18H26FN/c1-2-13-6-5-7-15(10-13)20-16-11-14(12-16)17-8-3-4-9-18(17)19/h3-4,8-9,13-16,20H,2,5-7,10-12H2,1H3
InChIKeyZIJFYEHGAOAXAU-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.63
Rot. Bonds4

About 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine

3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine (PubChem CID 64742391) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
PubChem CID64742391
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC2CC(c3ccccc3F)C2)C1
InChIInChI=1S/C18H26FN/c1-2-13-6-5-7-15(10-13)20-16-11-14(12-16)17-8-3-4-9-18(17)19/h3-4,8-9,13-16,20H,2,5-7,10-12H2,1H3
InChIKeyZIJFYEHGAOAXAU-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190
N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067007
N-[3-(2-fluorophenyl)cyclobutyl]-4-propylcyclohexan-1-amine
CID 63454111
N-[3-(2-fluorophenyl)cyclobutyl]-3-methylcyclopentan-1-amine
CID 113243151
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
3-(2-fluorophenyl)-N-(3-methoxycyclobutyl)cyclobutan-1-amine
CID 104587846
N-[(2,6-difluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64742190
N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
CID 43634682
N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine
CID 64743368
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931829
N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532119
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine (CID 64742391) is 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine is CCC1CCCC(NC2CC(c3ccccc3F)C2)C1.
What is the InChIKey of 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine?
The InChIKey is ZIJFYEHGAOAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-2-13-6-5-7-15(10-13)20-16-11-14(12-16)17-8-3-4-9-18(17)19/h3-4,8-9,13-16,20H,2,5-7,10-12H2,1H3.
What are the key properties of 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine?
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine has a molecular weight of 275.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine is sourced from PubChem (CID 64742391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).