2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol

C16H16F3NO — CID 43723801

IUPAC2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
SMILESCC(NCc1ccccc1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11(20-10-13-5-2-3-8-15(13)21)12-6-4-7-14(9-12)16(17,18)19/h2-9,11,20-21H,10H2,1H3
InChIKeyLMRLWEBMFOGDQP-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.26
Rot. Bonds4

About 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol

2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol (PubChem CID 43723801) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
PubChem CID43723801
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
SMILESCC(NCc1ccccc1O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11(20-10-13-5-2-3-8-15(13)21)12-6-4-7-14(9-12)16(17,18)19/h2-9,11,20-21H,10H2,1H3
InChIKeyLMRLWEBMFOGDQP-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1-phenylethylamino)methyl]phenol
CID 3669487
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723810
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
N-[(3-methyl-4-pyridinyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 114698972
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]phenol
CID 43694661
N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43223829
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
The IUPAC name of 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol (CID 43723801) is 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
The canonical SMILES for 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol is CC(NCc1ccccc1O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
The InChIKey is LMRLWEBMFOGDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11(20-10-13-5-2-3-8-15(13)21)12-6-4-7-14(9-12)16(17,18)19/h2-9,11,20-21H,10H2,1H3.
What are the key properties of 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol has a molecular weight of 295.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol is sourced from PubChem (CID 43723801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).