N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

C12H16F3NO — CID 114980102

IUPACN-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-11(16-4-2)9-5-7-10(8-6-9)17-12(13,14)15/h5-8,11,16H,3-4H2,1-2H3
InChIKeyLFSHSRJIUVDWLY-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 114980102) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID114980102
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-11(16-4-2)9-5-7-10(8-6-9)17-12(13,14)15/h5-8,11,16H,3-4H2,1-2H3
InChIKeyLFSHSRJIUVDWLY-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
N-ethyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 104987768
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 115782110
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
CID 162105991
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (CID 114980102) is N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is CCNC(CC)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is LFSHSRJIUVDWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-11(16-4-2)9-5-7-10(8-6-9)17-12(13,14)15/h5-8,11,16H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 114980102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).