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

C16H22F3NO — CID 106008246

IUPAC3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESFC(F)(F)Oc1ccccc1CNCCCC1CCCC1
InChIInChI=1S/C16H22F3NO/c17-16(18,19)21-15-10-4-3-9-14(15)12-20-11-5-8-13-6-1-2-7-13/h3-4,9-10,13,20H,1-2,5-8,11-12H2
InChIKeyPEHVVIKZJKZUAA-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.65
Rot. Bonds7

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

3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 106008246) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID106008246
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESFC(F)(F)Oc1ccccc1CNCCCC1CCCC1
InChIInChI=1S/C16H22F3NO/c17-16(18,19)21-15-10-4-3-9-14(15)12-20-11-5-8-13-6-1-2-7-13/h3-4,9-10,13,20H,1-2,5-8,11-12H2
InChIKeyPEHVVIKZJKZUAA-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 29298732
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
CID 115566606
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
CID 114136754
4-methylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 115639279
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
1-(thian-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 80594996
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 60733626
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (CID 106008246) is 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is FC(F)(F)Oc1ccccc1CNCCCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is PEHVVIKZJKZUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c17-16(18,19)21-15-10-4-3-9-14(15)12-20-11-5-8-13-6-1-2-7-13/h3-4,9-10,13,20H,1-2,5-8,11-12H2.
What are the key properties of 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106008246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).