2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol

C16H17F2NO — CID 81349588

IUPAC2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
SMILESCc1ccc([C@H](C)NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO/c1-10-3-5-13(6-4-10)11(2)19-9-12-7-14(17)16(20)15(18)8-12/h3-8,11,19-20H,9H2,1-2H3/t11-/m0/s1
InChIKeyDRJXXBJSWGMTIU-NSHDSACASA-N
MW277.31 g/mol
LogP3.83
Rot. Bonds4

About 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol

2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol (PubChem CID 81349588) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
PubChem CID81349588
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
SMILESCc1ccc([C@H](C)NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO/c1-10-3-5-13(6-4-10)11(2)19-9-12-7-14(17)16(20)15(18)8-12/h3-8,11,19-20H,9H2,1-2H3/t11-/m0/s1
InChIKeyDRJXXBJSWGMTIU-NSHDSACASA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
CID 81359778
2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 79831415
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 105403222
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79710852
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
2-fluoro-5-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107880338
5-[1-[(3,4-difluorophenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706359
2,6-dibromo-4-[[1-(3,4-difluorophenyl)ethylamino]methyl]phenol
CID 103602829
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol (CID 81349588) is 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol is Cc1ccc([C@H](C)NCc2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
The InChIKey is DRJXXBJSWGMTIU-NSHDSACASA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10-3-5-13(6-4-10)11(2)19-9-12-7-14(17)16(20)15(18)8-12/h3-8,11,19-20H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol?
2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol has a molecular weight of 277.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81349588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).