[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol

C16H17F2NO2 — CID 97088118

IUPAC[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol
SMILESCOc1cc(F)c([C@H](C)Nc2cccc(CO)c2)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-10(19-12-5-3-4-11(6-12)9-20)16-14(17)7-13(21-2)8-15(16)18/h3-8,10,19-20H,9H2,1-2H3/t10-/m0/s1
InChIKeyDIHUUIPJYFJWNS-JTQLQIEISA-N
MW293.31 g/mol
LogP3.64
Rot. Bonds5

About [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol

[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol (PubChem CID 97088118) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol
PubChem CID97088118
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol
SMILESCOc1cc(F)c([C@H](C)Nc2cccc(CO)c2)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-10(19-12-5-3-4-11(6-12)9-20)16-14(17)7-13(21-2)8-15(16)18/h3-8,10,19-20H,9H2,1-2H3/t10-/m0/s1
InChIKeyDIHUUIPJYFJWNS-JTQLQIEISA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[1-(2,4-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715117
[3-[1-(2,5-dimethoxyphenyl)ethylamino]phenyl]methanol
CID 43715147
3-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43765130
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
CID 107714824
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072
[3-[1-(2-bromophenyl)ethylamino]phenyl]methanol
CID 43715152
(3-methoxyphenyl)(113C)methanol
CID 11593446
[3-[2-(4-methoxyphenoxy)ethylamino]phenyl]methanol
CID 110880288
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]benzamide
CID 43767602

Frequently Asked Questions

What is the IUPAC name of [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol?
The IUPAC name of [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol (CID 97088118) is [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol?
The canonical SMILES for [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol is COc1cc(F)c([C@H](C)Nc2cccc(CO)c2)c(F)c1.
What is the InChIKey of [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol?
The InChIKey is DIHUUIPJYFJWNS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10(19-12-5-3-4-11(6-12)9-20)16-14(17)7-13(21-2)8-15(16)18/h3-8,10,19-20H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol?
[3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol has a molecular weight of 293.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethyl]amino]phenyl]methanol is sourced from PubChem (CID 97088118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).