N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline

C15H14F3NO — CID 62597659

IUPACN-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFC(F)(F)c1cccc(OCCNc2ccccc2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-5-4-8-14(11-12)20-10-9-19-13-6-2-1-3-7-13/h1-8,11,19H,9-10H2
InChIKeySIDKTYISDYOMFE-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.20
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline

N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline (PubChem CID 62597659) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
PubChem CID62597659
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
SMILESFC(F)(F)c1cccc(OCCNc2ccccc2)c1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-5-4-8-14(11-12)20-10-9-19-13-6-2-1-3-7-13/h1-8,11,19H,9-10H2
InChIKeySIDKTYISDYOMFE-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.20
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

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
N-benzyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;oxalic acid
CID 16614040
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 63668109
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
CID 54803252
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]ethanesulfonamide
CID 30867214
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline (CID 62597659) is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline is FC(F)(F)c1cccc(OCCNc2ccccc2)c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline?
The InChIKey is SIDKTYISDYOMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)12-5-4-8-14(11-12)20-10-9-19-13-6-2-1-3-7-13/h1-8,11,19H,9-10H2.
What are the key properties of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline?
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline has a molecular weight of 281.28 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline is sourced from PubChem (CID 62597659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).