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

C13H18F3NO — CID 62603541

IUPACN-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(COC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-17-12(9-18-2)8-10-5-4-6-11(7-10)13(14,15)16/h4-7,12,17H,3,8-9H2,1-2H3
InChIKeyXVGBMPCKKSOCBF-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.87
Rot. Bonds6

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

N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 62603541) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID62603541
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(COC)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-3-17-12(9-18-2)8-10-5-4-6-11(7-10)13(14,15)16/h4-7,12,17H,3,8-9H2,1-2H3
InChIKeyXVGBMPCKKSOCBF-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 62605208
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 83178380
[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 114033159
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
N-ethyl-4-methyl-1-[3-(trifluoromethyl)phenyl]pent-3-en-2-amine
CID 79178623
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
ethane;N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydroxysulfanylethane
CID 143236210

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 62603541) is N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine is CCNC(COC)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is XVGBMPCKKSOCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-17-12(9-18-2)8-10-5-4-6-11(7-10)13(14,15)16/h4-7,12,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 62603541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).