3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine

C17H24F3N — CID 115831160

IUPAC3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)C(C)C1CC1
InChIInChI=1S/C17H24F3N/c1-3-9-21-16(12(2)14-7-8-14)11-13-5-4-6-15(10-13)17(18,19)20/h4-6,10,12,14,16,21H,3,7-9,11H2,1-2H3
InChIKeyUAGOQZLRMHABEL-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.66
Rot. Bonds7

About 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine

3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 115831160) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID115831160
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCCCNC(Cc1cccc(C(F)(F)F)c1)C(C)C1CC1
InChIInChI=1S/C17H24F3N/c1-3-9-21-16(12(2)14-7-8-14)11-13-5-4-6-15(10-13)17(18,19)20/h4-6,10,12,14,16,21H,3,7-9,11H2,1-2H3
InChIKeyUAGOQZLRMHABEL-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
1-(3-chloro-4-fluorophenyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 103043171
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
1-N,1-N-dimethyl-2-N-propyl-3-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79093607
1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 102758696
N-[1-(furan-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 62698331
1-(3-methylcyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65415364

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine (CID 115831160) is 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine is CCCNC(Cc1cccc(C(F)(F)F)c1)C(C)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is UAGOQZLRMHABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-3-9-21-16(12(2)14-7-8-14)11-13-5-4-6-15(10-13)17(18,19)20/h4-6,10,12,14,16,21H,3,7-9,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine?
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 299.38 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 115831160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).