3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine

C17H24F3N — CID 102757776

IUPAC3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(CCC1CCCC1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H24F3N/c1-12-11-14(17(18,19)20)8-9-15(12)16(21-2)10-7-13-5-3-4-6-13/h8-9,11,13,16,21H,3-7,10H2,1-2H3
InChIKeyTVLWVXBGPYOOSC-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.24
Rot. Bonds5

About 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine

3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 102757776) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID102757776
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(CCC1CCCC1)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C17H24F3N/c1-12-11-14(17(18,19)20)8-9-15(12)16(21-2)10-7-13-5-3-4-6-13/h8-9,11,13,16,21H,3-7,10H2,1-2H3
InChIKeyTVLWVXBGPYOOSC-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990513
2-cyclopentyl-N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758480
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(thian-4-yl)ethanamine
CID 102757909
3-cyclopentyl-N-methyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 114192227
1-cyclohexyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753668
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 102759720
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
3-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)-N-methylpropan-1-amine
CID 81155888
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine (CID 102757776) is 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine is CNC(CCC1CCCC1)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is TVLWVXBGPYOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-12-11-14(17(18,19)20)8-9-15(12)16(21-2)10-7-13-5-3-4-6-13/h8-9,11,13,16,21H,3-7,10H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine?
3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 102757776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).