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

C15H22FN — CID 61063838

IUPACN-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C15H22FN/c1-2-10-17-15(12-7-5-8-12)11-13-6-3-4-9-14(13)16/h3-4,6,9,12,15,17H,2,5,7-8,10-11H2,1H3
InChIKeyQDPGKMZBVHYWFD-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds6

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

N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 61063838) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID61063838
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C15H22FN/c1-2-10-17-15(12-7-5-8-12)11-13-6-3-4-9-14(13)16/h3-4,6,9,12,15,17H,2,5,7-8,10-11H2,1H3
InChIKeyQDPGKMZBVHYWFD-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

N-[1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 63863279
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 63415854
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
N-[1-cyclopropyl-2-[2-(difluoromethylsulfonyl)phenyl]ethyl]propan-1-amine
CID 63355414
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine (CID 61063838) is N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1F)C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is QDPGKMZBVHYWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-2-10-17-15(12-7-5-8-12)11-13-6-3-4-9-14(13)16/h3-4,6,9,12,15,17H,2,5,7-8,10-11H2,1H3.
What are the key properties of N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine?
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-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 N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 61063838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).