2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine

C16H16F3NO — CID 105348964

IUPAC2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
SMILESNCCc1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-5-7-15(8-6-14)21-11-13-3-1-12(2-4-13)9-10-20/h1-8H,9-11,20H2
InChIKeyGAIFKLNLSMRFAV-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.79
Rot. Bonds5

About 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine

2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine (PubChem CID 105348964) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
PubChem CID105348964
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
SMILESNCCc1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO/c17-16(18,19)14-5-7-15(8-6-14)21-11-13-3-1-12(2-4-13)9-10-20/h1-8H,9-11,20H2
InChIKeyGAIFKLNLSMRFAV-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
2-[4-[(4-methylsulfanylphenoxy)methyl]phenyl]ethanamine
CID 105350932
[2-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 102723774
2-methylsulfonyl-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]butanamide
CID 66578110
O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
CID 145175023
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine (CID 105348964) is 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine is NCCc1ccc(COc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine?
The InChIKey is GAIFKLNLSMRFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)14-5-7-15(8-6-14)21-11-13-3-1-12(2-4-13)9-10-20/h1-8H,9-11,20H2.
What are the key properties of 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine?
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine has a molecular weight of 295.30 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine is sourced from PubChem (CID 105348964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).