[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol

C16H18FNO2 — CID 106529749

IUPAC[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol
SMILESCOc1ccccc1CN(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C16H18FNO2/c1-18(10-13-5-3-4-6-16(13)20-2)15-8-12(11-19)7-14(17)9-15/h3-9,19H,10-11H2,1-2H3
InChIKeyWNKRTFBOISOZJG-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.96
Rot. Bonds5

About [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol

[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol (PubChem CID 106529749) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol
PubChem CID106529749
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol
SMILESCOc1ccccc1CN(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C16H18FNO2/c1-18(10-13-5-3-4-6-16(13)20-2)15-8-12(11-19)7-14(17)9-15/h3-9,19H,10-11H2,1-2H3
InChIKeyWNKRTFBOISOZJG-UHFFFAOYSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 106529738
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
[5-chloro-6-[(2-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417850
4-[(2-methoxyphenyl)methyl-methylamino]benzenecarbothioamide
CID 61418085
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
(2-(111C)methoxyphenyl)methanol
CID 59897789
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol?
The IUPAC name of [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol (CID 106529749) is [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol?
The canonical SMILES for [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol is COc1ccccc1CN(C)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol?
The InChIKey is WNKRTFBOISOZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18(10-13-5-3-4-6-16(13)20-2)15-8-12(11-19)7-14(17)9-15/h3-9,19H,10-11H2,1-2H3.
What are the key properties of [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol?
[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol has a molecular weight of 275.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol is sourced from PubChem (CID 106529749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).