1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine

C15H22FN — CID 115704314

IUPAC1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H22FN/c1-12(11-14-3-2-4-14)17-10-9-13-5-7-15(16)8-6-13/h5-8,12,14,17H,2-4,9-11H2,1H3
InChIKeyMIWFICBWWCHMOZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds6

About 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine

1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine (PubChem CID 115704314) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
PubChem CID115704314
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
SMILESCC(CC1CCC1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H22FN/c1-12(11-14-3-2-4-14)17-10-9-13-5-7-15(16)8-6-13/h5-8,12,14,17H,2-4,9-11H2,1H3
InChIKeyMIWFICBWWCHMOZ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
1-cyclobutyl-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-amine
CID 115704098
(2S)-1-cyclobutyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propan-2-amine
CID 171764220
1-cyclobutyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709042
1-cyclobutyl-N-[(3,4-difluorophenyl)methyl]propan-2-amine
CID 115712467
1-cyclobutyl-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 115714661
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylcyclopropyl)ethanamine
CID 43363099
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115715095
N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine (CID 115704314) is 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine is CC(CC1CCC1)NCCc1ccc(F)cc1.
What is the InChIKey of 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
The InChIKey is MIWFICBWWCHMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-12(11-14-3-2-4-14)17-10-9-13-5-7-15(16)8-6-13/h5-8,12,14,17H,2-4,9-11H2,1H3.
What are the key properties of 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine?
1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(4-fluorophenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115704314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).