2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C13H18F3NO — CID 106451262

IUPAC2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCCOCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-2-7-18-8-6-17-10-11-4-3-5-12(9-11)13(14,15)16/h3-5,9,17H,2,6-8,10H2,1H3
InChIKeyLKRFIOXJTUZSSE-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.22
Rot. Bonds7

About 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 106451262) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID106451262
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCCOCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-2-7-18-8-6-17-10-11-4-3-5-12(9-11)13(14,15)16/h3-5,9,17H,2,6-8,10H2,1H3
InChIKeyLKRFIOXJTUZSSE-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.22
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-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
2-methylidene-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66045680
1-(2-butoxyethyl)-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111267700
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 78910480
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643861
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 106451262) is 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCCOCCNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is LKRFIOXJTUZSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-2-7-18-8-6-17-10-11-4-3-5-12(9-11)13(14,15)16/h3-5,9,17H,2,6-8,10H2,1H3.
What are the key properties of 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 261.29 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106451262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).