2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol

C16H17F2NO2 — CID 79831415

IUPAC2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1ccc(C(C)NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-10(12-3-5-13(21-2)6-4-12)19-9-11-7-14(17)16(20)15(18)8-11/h3-8,10,19-20H,9H2,1-2H3
InChIKeyMTHQTGQOSKHUJN-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.53
Rot. Bonds5

About 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol

2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol (PubChem CID 79831415) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
PubChem CID79831415
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
SMILESCOc1ccc(C(C)NCc2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-10(12-3-5-13(21-2)6-4-12)19-9-11-7-14(17)16(20)15(18)8-11/h3-8,10,19-20H,9H2,1-2H3
InChIKeyMTHQTGQOSKHUJN-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
2,6-difluoro-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81349588
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2,6-difluorophenol
CID 81359778
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623582
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
1-(4-methoxyphenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792828
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol (CID 79831415) is 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol is COc1ccc(C(C)NCc2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol?
The InChIKey is MTHQTGQOSKHUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10(12-3-5-13(21-2)6-4-12)19-9-11-7-14(17)16(20)15(18)8-11/h3-8,10,19-20H,9H2,1-2H3.
What are the key properties of 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol?
2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol has a molecular weight of 293.31 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 79831415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).