3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine

C17H24F3N — CID 64922343

IUPAC3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine
SMILESCCC1CCC(NC(CC(F)(F)F)c2ccccc2)C1C
InChIInChI=1S/C17H24F3N/c1-3-13-9-10-15(12(13)2)21-16(11-17(18,19)20)14-7-5-4-6-8-14/h4-8,12-13,15-16,21H,3,9-11H2,1-2H3
InChIKeyLAAGKENZLOOZFA-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.09
Rot. Bonds5

About 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine

3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine (PubChem CID 64922343) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine
PubChem CID64922343
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine
SMILESCCC1CCC(NC(CC(F)(F)F)c2ccccc2)C1C
InChIInChI=1S/C17H24F3N/c1-3-13-9-10-15(12(13)2)21-16(11-17(18,19)20)14-7-5-4-6-8-14/h4-8,12-13,15-16,21H,3,9-11H2,1-2H3
InChIKeyLAAGKENZLOOZFA-UHFFFAOYSA-N
XLogP5.09
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 ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
CID 43760194
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
3-ethyl-2-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64921128
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
CID 63462773
3-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64921322
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
CID 62092120
5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
CID 63661532
4-bromo-2-[1-[(3-ethyl-2-methylcyclopentyl)amino]propyl]phenol
CID 64920939
3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
CID 64922146

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine (CID 64922343) is 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine is CCC1CCC(NC(CC(F)(F)F)c2ccccc2)C1C.
What is the InChIKey of 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine?
The InChIKey is LAAGKENZLOOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-3-13-9-10-15(12(13)2)21-16(11-17(18,19)20)14-7-5-4-6-8-14/h4-8,12-13,15-16,21H,3,9-11H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine?
3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine has a molecular weight of 299.38 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 64922343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).