2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine

C17H24F3N — CID 102758696

IUPAC2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1C)C(C)C1CC1
InChIInChI=1S/C17H24F3N/c1-4-9-21-16(12(3)13-5-6-13)15-8-7-14(10-11(15)2)17(18,19)20/h7-8,10,12-13,16,21H,4-6,9H2,1-3H3
InChIKeyRRWPWEHGEGIDMT-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.10
Rot. Bonds6

About 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine

2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 102758696) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
PubChem CID102758696
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(c1ccc(C(F)(F)F)cc1C)C(C)C1CC1
InChIInChI=1S/C17H24F3N/c1-4-9-21-16(12(3)13-5-6-13)15-8-7-14(10-11(15)2)17(18,19)20/h7-8,10,12-13,16,21H,4-6,9H2,1-3H3
InChIKeyRRWPWEHGEGIDMT-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102753611
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(oxolan-3-yl)methyl]propan-1-amine
CID 102754281
2-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-propylpropan-1-amine
CID 83154785
2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102757971
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480
3-cyclopropyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115831160
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
1-(4-bromonaphthalen-1-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83149935
2-cyclopropyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 83154582
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
N-[3-bicyclo[3.1.0]hexanyl-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102758303

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine (CID 102758696) is 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine is CCCNC(c1ccc(C(F)(F)F)cc1C)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is RRWPWEHGEGIDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-4-9-21-16(12(3)13-5-6-13)15-8-7-14(10-11(15)2)17(18,19)20/h7-8,10,12-13,16,21H,4-6,9H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 102758696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).