[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol

C17H20FNO2 — CID 103947395

IUPAC[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
SMILESCOc1cc(C(C)NCc2ccc(CO)cc2)ccc1F
InChIInChI=1S/C17H20FNO2/c1-12(15-7-8-16(18)17(9-15)21-2)19-10-13-3-5-14(11-20)6-4-13/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyIQRYVKKODJALTO-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.18
Rot. Bonds6

About [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol

[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol (PubChem CID 103947395) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
PubChem CID103947395
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
SMILESCOc1cc(C(C)NCc2ccc(CO)cc2)ccc1F
InChIInChI=1S/C17H20FNO2/c1-12(15-7-8-16(18)17(9-15)21-2)19-10-13-3-5-14(11-20)6-4-13/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyIQRYVKKODJALTO-UHFFFAOYSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
1-(4-fluoro-3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991116
[4-[[1-(3,5-difluorophenyl)ethylamino]methyl]phenyl]methanol
CID 107230241
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
CID 83069869
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 82991376
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82884552
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 81431633
4-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-2-methoxyphenol
CID 107229768
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
1-(4-fluoro-3-methoxyphenyl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 83075054

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol (CID 103947395) is [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol is COc1cc(C(C)NCc2ccc(CO)cc2)ccc1F.
What is the InChIKey of [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol?
The InChIKey is IQRYVKKODJALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(15-7-8-16(18)17(9-15)21-2)19-10-13-3-5-14(11-20)6-4-13/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol?
[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol has a molecular weight of 289.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 103947395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).