1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine

C15H22FN — CID 113338838

IUPAC1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
SMILESCCCC(NC(C)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FN/c1-3-4-15(13-5-6-13)17-11(2)12-7-9-14(16)10-8-12/h7-11,13,15,17H,3-6H2,1-2H3
InChIKeyHZETUAYVKFEBFZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.05
Rot. Bonds6

About 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine

1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine (PubChem CID 113338838) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
PubChem CID113338838
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
SMILESCCCC(NC(C)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H22FN/c1-3-4-15(13-5-6-13)17-11(2)12-7-9-14(16)10-8-12/h7-11,13,15,17H,3-6H2,1-2H3
InChIKeyHZETUAYVKFEBFZ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine
CID 114275947
1-cyclopropyl-N-[1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 64919026
N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
CID 103520522
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 115769765
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpentan-1-amine
CID 81351129
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine (CID 113338838) is 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine is CCCC(NC(C)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine?
The InChIKey is HZETUAYVKFEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-4-15(13-5-6-13)17-11(2)12-7-9-14(16)10-8-12/h7-11,13,15,17H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine?
1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine is sourced from PubChem (CID 113338838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).