4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol

C18H22FNO2 — CID 111336609

IUPAC4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
SMILESCC(O)CCNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C18H22FNO2/c1-14(21)9-10-20-12-15-5-4-7-17(11-15)22-13-16-6-2-3-8-18(16)19/h2-8,11,14,20-21H,9-10,12-13H2,1H3
InChIKeyYRPAPOOTJMYDMP-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.27
Rot. Bonds8

About 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol

4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol (PubChem CID 111336609) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
PubChem CID111336609
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
SMILESCC(O)CCNCc1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C18H22FNO2/c1-14(21)9-10-20-12-15-5-4-7-17(11-15)22-13-16-6-2-3-8-18(16)19/h2-8,11,14,20-21H,9-10,12-13H2,1H3
InChIKeyYRPAPOOTJMYDMP-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
5-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]pentanenitrile
CID 119115289
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
N-[2-[3-[(2-fluorophenyl)methoxy]phenyl]ethyl]propan-2-amine
CID 154512400
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
4-[[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid
CID 4720686
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol?
The IUPAC name of 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol (CID 111336609) is 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol.
What is the SMILES notation for 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol?
The canonical SMILES for 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol is CC(O)CCNCc1cccc(OCc2ccccc2F)c1.
What is the InChIKey of 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol?
The InChIKey is YRPAPOOTJMYDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-14(21)9-10-20-12-15-5-4-7-17(11-15)22-13-16-6-2-3-8-18(16)19/h2-8,11,14,20-21H,9-10,12-13H2,1H3.
What are the key properties of 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol?
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol has a molecular weight of 303.38 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 111336609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).