N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine

C15H22FN — CID 114871847

IUPACN-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCCC1CCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-2-15(13-7-4-8-14(16)11-13)17-10-9-12-5-3-6-12/h4,7-8,11-12,15,17H,2-3,5-6,9-10H2,1H3
InChIKeyKYCFUZMJHPOCSF-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.06
Rot. Bonds6

About N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine

N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine (PubChem CID 114871847) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
PubChem CID114871847
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCC(NCCC1CCC1)c1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-2-15(13-7-4-8-14(16)11-13)17-10-9-12-5-3-6-12/h4,7-8,11-12,15,17H,2-3,5-6,9-10H2,1H3
InChIKeyKYCFUZMJHPOCSF-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871123
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 114871000
1-(3-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]propan-1-amine
CID 114870966
3-[1-(3-fluorophenyl)propylamino]propanenitrile
CID 114871129
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
N-[1-(3-fluorophenyl)propyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114871649
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine (CID 114871847) is N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine is CCC(NCCC1CCC1)c1cccc(F)c1.
What is the InChIKey of N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is KYCFUZMJHPOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-2-15(13-7-4-8-14(16)11-13)17-10-9-12-5-3-6-12/h4,7-8,11-12,15,17H,2-3,5-6,9-10H2,1H3.
What are the key properties of N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine?
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 114871847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).