2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol

C18H22FNO2 — CID 4715475

IUPAC2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-18(2,13-21)20-11-15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,20-21H,11-13H2,1-2H3
InChIKeyHBAUYTXHWVBYLS-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.27
Rot. Bonds7

About 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol

2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol (PubChem CID 4715475) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
PubChem CID4715475
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC Name2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C18H22FNO2/c1-18(2,13-21)20-11-15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,20-21H,11-13H2,1-2H3
InChIKeyHBAUYTXHWVBYLS-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

3-[[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 111112632
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 17210985
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17210800
2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295166
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenol
CID 28725427
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
3-[[3-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 111440156
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
1-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295165

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol (CID 4715475) is 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
The InChIKey is HBAUYTXHWVBYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-18(2,13-21)20-11-15-4-3-5-17(10-15)22-12-14-6-8-16(19)9-7-14/h3-10,20-21H,11-13H2,1-2H3.
What are the key properties of 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol?
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol has a molecular weight of 303.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 4715475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).