3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine

C16H24FN — CID 83154233

IUPAC3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)C(C)C1CC1
InChIInChI=1S/C16H24FN/c1-3-9-18-16(12(2)14-7-8-14)11-13-5-4-6-15(17)10-13/h4-6,10,12,14,16,18H,3,7-9,11H2,1-2H3
InChIKeyGZVDGCNPVCXTJL-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.78
Rot. Bonds7

About 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine

3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine (PubChem CID 83154233) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
PubChem CID83154233
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(F)c1)C(C)C1CC1
InChIInChI=1S/C16H24FN/c1-3-9-18-16(12(2)14-7-8-14)11-13-5-4-6-15(17)10-13/h4-6,10,12,14,16,18H,3,7-9,11H2,1-2H3
InChIKeyGZVDGCNPVCXTJL-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
1-(2-chloro-5-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 102623040
1-(5-chloro-2-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103052942
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61064174
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine (CID 83154233) is 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine is CCCNC(Cc1cccc(F)c1)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine?
The InChIKey is GZVDGCNPVCXTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-9-18-16(12(2)14-7-8-14)11-13-5-4-6-15(17)10-13/h4-6,10,12,14,16,18H,3,7-9,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine?
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine has a molecular weight of 249.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 83154233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).