2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine

C16H16F3NO — CID 62789714

IUPAC2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCc1ccccc1CC(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-11-6-2-3-7-12(11)10-14(20)13-8-4-5-9-15(13)21-16(17,18)19/h2-9,14H,10,20H2,1H3
InChIKeyPMTNFEBBAHMDST-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine

2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 62789714) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID62789714
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCc1ccccc1CC(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-11-6-2-3-7-12(11)10-14(20)13-8-4-5-9-15(13)21-16(17,18)19/h2-9,14H,10,20H2,1H3
InChIKeyPMTNFEBBAHMDST-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790502
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 171260551
(3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260087
1-(2-bromo-4,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 43118218

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 62789714) is 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine is Cc1ccccc1CC(N)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is PMTNFEBBAHMDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-6-2-3-7-12(11)10-14(20)13-8-4-5-9-15(13)21-16(17,18)19/h2-9,14H,10,20H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine?
2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 62789714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).