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

C13H18F3NO — CID 62800996

IUPACN-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(CCOC)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-17-12(8-9-18-2)10-6-4-5-7-11(10)13(14,15)16/h4-7,12,17H,3,8-9H2,1-2H3
InChIKeyLCXOAXRWACTCDI-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.39
Rot. Bonds6

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

N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 62800996) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID62800996
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESCCNC(CCOC)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-17-12(8-9-18-2)10-6-4-5-7-11(10)13(14,15)16/h4-7,12,17H,3,8-9H2,1-2H3
InChIKeyLCXOAXRWACTCDI-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

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Related Compounds

N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 104987286
3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 62802306
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128216
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475
1-(2,3-difluoro-4-methylphenyl)-N-ethyl-3-methoxypropan-1-amine
CID 107513225
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 62800996) is N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine is CCNC(CCOC)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is LCXOAXRWACTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-17-12(8-9-18-2)10-6-4-5-7-11(10)13(14,15)16/h4-7,12,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
N-ethyl-3-methoxy-1-[2-(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 N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 62800996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).