2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol

C15H15F2NO — CID 114332065

IUPAC2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
SMILESOc1ccccc1CNCC(F)(F)c1ccccc1
InChIInChI=1S/C15H15F2NO/c16-15(17,13-7-2-1-3-8-13)11-18-10-12-6-4-5-9-14(12)19/h1-9,18-19H,10-11H2
InChIKeyIFEHYRKNLPSLNB-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.27
Rot. Bonds5

About 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol

2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol (PubChem CID 114332065) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
PubChem CID114332065
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol
SMILESOc1ccccc1CNCC(F)(F)c1ccccc1
InChIInChI=1S/C15H15F2NO/c16-15(17,13-7-2-1-3-8-13)11-18-10-12-6-4-5-9-14(12)19/h1-9,18-19H,10-11H2
InChIKeyIFEHYRKNLPSLNB-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.27
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

2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 116789344
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
2-[(benzylamino)methyl]phenol chloride
CID 53350489
N-[[3-(chloromethyl)phenyl]methyl]-2,2-difluoro-2-phenylethanamine
CID 116790548
3-[[(2-methyl-2-phenylpropyl)amino]methyl]benzene-1,2-diol
CID 61318092
2,2-difluoro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-phenylethanamine
CID 116789196
2,2-difluoro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 116788992
2-[(2-chlorophenyl)methylamino]-1,1-diphenylethanol
CID 2768826
3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
CID 116789164
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999
2-(ethylaminomethyl)phenol
CID 12995218

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol?
The IUPAC name of 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol (CID 114332065) is 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol is Oc1ccccc1CNCC(F)(F)c1ccccc1.
What is the InChIKey of 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol?
The InChIKey is IFEHYRKNLPSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-15(17,13-7-2-1-3-8-13)11-18-10-12-6-4-5-9-14(12)19/h1-9,18-19H,10-11H2.
What are the key properties of 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol?
2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol has a molecular weight of 263.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-difluoro-2-phenylethyl)amino]methyl]phenol is sourced from PubChem (CID 114332065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).