[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol

C16H18FNO2 — CID 60980868

IUPAC[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2ccc(F)cc2)cc1CO
InChIInChI=1S/C16H18FNO2/c1-2-20-16-8-7-15(9-13(16)11-19)18-10-12-3-5-14(17)6-4-12/h3-9,18-19H,2,10-11H2,1H3
InChIKeyIZUFSIQIGVWWQI-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.33
Rot. Bonds6

About [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol

[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol (PubChem CID 60980868) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
PubChem CID60980868
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2ccc(F)cc2)cc1CO
InChIInChI=1S/C16H18FNO2/c1-2-20-16-8-7-15(9-13(16)11-19)18-10-12-3-5-14(17)6-4-12/h3-9,18-19H,2,10-11H2,1H3
InChIKeyIZUFSIQIGVWWQI-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
CID 110897397
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-4-ethoxyaniline
CID 65025250
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
[2-ethoxy-5-[(4-methyl-3-nitrophenyl)methylamino]phenyl]methanol
CID 110897394
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[2-ethoxy-5-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanol
CID 66412545
[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
CID 62742857
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-fluoroaniline
CID 126202804

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol (CID 60980868) is [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol is CCOc1ccc(NCc2ccc(F)cc2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol?
The InChIKey is IZUFSIQIGVWWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-20-16-8-7-15(9-13(16)11-19)18-10-12-3-5-14(17)6-4-12/h3-9,18-19H,2,10-11H2,1H3.
What are the key properties of [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol?
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol has a molecular weight of 275.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol is sourced from PubChem (CID 60980868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).