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

C16H22F3N — CID 63413337

IUPACN-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C16H22F3N/c1-2-11-20-15(12-7-3-4-8-12)13-9-5-6-10-14(13)16(17,18)19/h5-6,9-10,12,15,20H,2-4,7-8,11H2,1H3
InChIKeyLSXSMLFFGIKAGN-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.94
Rot. Bonds5

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

N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (PubChem CID 63413337) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
PubChem CID63413337
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C16H22F3N/c1-2-11-20-15(12-7-3-4-8-12)13-9-5-6-10-14(13)16(17,18)19/h5-6,9-10,12,15,20H,2-4,7-8,11H2,1H3
InChIKeyLSXSMLFFGIKAGN-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N-[(2-methylcyclopropyl)-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65420429
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853839
N-[(2-chlorophenyl)-cyclopropylmethyl]propan-1-amine
CID 61030394
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine (CID 63413337) is N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccccc1C(F)(F)F)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
The InChIKey is LSXSMLFFGIKAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-11-20-15(12-7-3-4-8-12)13-9-5-6-10-14(13)16(17,18)19/h5-6,9-10,12,15,20H,2-4,7-8,11H2,1H3.
What are the key properties of N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine?
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63413337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).