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

C15H20F3NO2 — CID 29298732

IUPAC3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESFC(F)(F)Oc1ccccc1CNCCCOCC1CC1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)21-14-5-2-1-4-13(14)10-19-8-3-9-20-11-12-6-7-12/h1-2,4-5,12,19H,3,6-11H2
InChIKeyGIYCWSUFVJSISR-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.49
Rot. Bonds9

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

3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 29298732) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID29298732
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESFC(F)(F)Oc1ccccc1CNCCCOCC1CC1
InChIInChI=1S/C15H20F3NO2/c16-15(17,18)21-14-5-2-1-4-13(14)10-19-8-3-9-20-11-12-6-7-12/h1-2,4-5,12,19H,3,6-11H2
InChIKeyGIYCWSUFVJSISR-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
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
4-methylsulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 115639279
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 113237530
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
(E)-N-[[2-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 115629021

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (CID 29298732) is 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is FC(F)(F)Oc1ccccc1CNCCCOCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is GIYCWSUFVJSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c16-15(17,18)21-14-5-2-1-4-13(14)10-19-8-3-9-20-11-12-6-7-12/h1-2,4-5,12,19H,3,6-11H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 29298732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).