N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine

C17H24F3N — CID 43760194

IUPACN-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
SMILESFC(F)(F)CC(NC1CCCCCCC1)c1ccccc1
InChIInChI=1S/C17H24F3N/c18-17(19,20)13-16(14-9-5-4-6-10-14)21-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16,21H,1-3,7-8,11-13H2
InChIKeyCLHNOQNMJRSDKZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP5.38
Rot. Bonds4

About N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine

N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine (PubChem CID 43760194) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
PubChem CID43760194
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine
SMILESFC(F)(F)CC(NC1CCCCCCC1)c1ccccc1
InChIInChI=1S/C17H24F3N/c18-17(19,20)13-16(14-9-5-4-6-10-14)21-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16,21H,1-3,7-8,11-13H2
InChIKeyCLHNOQNMJRSDKZ-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.38
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
5-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
CID 63661532
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
N-(2-methoxy-1-phenylethyl)cyclopentanamine
CID 84596036
3-[(3,3,3-trifluoro-1-phenylpropyl)amino]piperidin-2-one
CID 62092120
N-(3,3-dimethyl-1-phenylbutyl)azepan-4-amine
CID 103981437
3-ethyl-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)cyclopentan-1-amine
CID 64922343
N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
CID 54906460
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine?
The IUPAC name of N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine (CID 43760194) is N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine.
What is the SMILES notation for N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine?
The canonical SMILES for N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine is FC(F)(F)CC(NC1CCCCCCC1)c1ccccc1.
What is the InChIKey of N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine?
The InChIKey is CLHNOQNMJRSDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c18-17(19,20)13-16(14-9-5-4-6-10-14)21-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16,21H,1-3,7-8,11-13H2.
What are the key properties of N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine?
N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine has a molecular weight of 299.38 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-1-phenylpropyl)cyclooctanamine is sourced from PubChem (CID 43760194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).