4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol

C16H17F2NO — CID 60943467

IUPAC4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
SMILESCC(Cc1c(F)cccc1F)NCc1ccc(O)cc1
InChIInChI=1S/C16H17F2NO/c1-11(9-14-15(17)3-2-4-16(14)18)19-10-12-5-7-13(20)8-6-12/h2-8,11,19-20H,9-10H2,1H3
InChIKeyWAPUJPNCMSFWHZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.39
Rot. Bonds5

About 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol

4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol (PubChem CID 60943467) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
PubChem CID60943467
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
SMILESCC(Cc1c(F)cccc1F)NCc1ccc(O)cc1
InChIInChI=1S/C16H17F2NO/c1-11(9-14-15(17)3-2-4-16(14)18)19-10-12-5-7-13(20)8-6-12/h2-8,11,19-20H,9-10H2,1H3
InChIKeyWAPUJPNCMSFWHZ-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol
CID 79781325
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
CID 63000728
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
3-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 60942834
N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 54864200
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol?
The IUPAC name of 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol (CID 60943467) is 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol.
What is the SMILES notation for 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol?
The canonical SMILES for 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol is CC(Cc1c(F)cccc1F)NCc1ccc(O)cc1.
What is the InChIKey of 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol?
The InChIKey is WAPUJPNCMSFWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(9-14-15(17)3-2-4-16(14)18)19-10-12-5-7-13(20)8-6-12/h2-8,11,19-20H,9-10H2,1H3.
What are the key properties of 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol?
4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol has a molecular weight of 277.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol is sourced from PubChem (CID 60943467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).