N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine

C12H17F3N2O — CID 63197351

IUPACN-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine
SMILESCCNC(COC)Cc1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-3-16-9(8-18-2)7-11-10(12(13,14)15)5-4-6-17-11/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyKSAWFFATMWLZFO-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.27
Rot. Bonds6

About N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine

N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine (PubChem CID 63197351) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine
PubChem CID63197351
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine
SMILESCCNC(COC)Cc1ncccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-3-16-9(8-18-2)7-11-10(12(13,14)15)5-4-6-17-11/h4-6,9,16H,3,7-8H2,1-2H3
InChIKeyKSAWFFATMWLZFO-UHFFFAOYSA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 114155563
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62603541
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
2-(2-chloro-3-methylbutyl)-3-(trifluoromethyl)pyridine
CID 63202655
N-ethyl-1-(2-methoxyethoxy)-3-pyridin-2-ylpropan-2-amine
CID 114032870
N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
CID 82732422
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
1-(2,3-difluorophenyl)-N-ethyl-3-methoxypropan-2-amine
CID 62604659
N-ethyl-1-methoxy-3-(5-nitroquinolin-6-yl)propan-2-amine
CID 63197163
2-butan-2-yloxy-3-(trifluoromethyl)pyridine
CID 150604612
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine (CID 63197351) is N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine is CCNC(COC)Cc1ncccc1C(F)(F)F.
What is the InChIKey of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
The InChIKey is KSAWFFATMWLZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-16-9(8-18-2)7-11-10(12(13,14)15)5-4-6-17-11/h4-6,9,16H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine?
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine has a molecular weight of 262.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-[3-(trifluoromethyl)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 63197351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).