3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine

C13H18F3NO — CID 112688216

IUPAC3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCOCCC(NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-18-8-7-12(17-2)10-5-4-6-11(9-10)13(14,15)16/h4-6,9,12,17H,3,7-8H2,1-2H3
InChIKeyWVDMQYQJYLZXCQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.39
Rot. Bonds6

About 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine

3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 112688216) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID112688216
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCOCCC(NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-18-8-7-12(17-2)10-5-4-6-11(9-10)13(14,15)16/h4-6,9,12,17H,3,7-8H2,1-2H3
InChIKeyWVDMQYQJYLZXCQ-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.39
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

4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
3-ethoxy-N-methyl-1-naphthalen-2-ylpropan-1-amine
CID 112688302
[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193830
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105
N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652780
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
2-(3-ethoxypropylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60901091
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
2-ethoxy-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 53276238

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 112688216) is 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine is CCOCCC(NC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is WVDMQYQJYLZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-18-8-7-12(17-2)10-5-4-6-11(9-10)13(14,15)16/h4-6,9,12,17H,3,7-8H2,1-2H3.
What are the key properties of 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 112688216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).