2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline

C17H20FNO — CID 82538614

IUPAC2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
SMILESCC(C)(C)Oc1ccccc1CNc1ccccc1F
InChIInChI=1S/C17H20FNO/c1-17(2,3)20-16-11-7-4-8-13(16)12-19-15-10-6-5-9-14(15)18/h4-11,19H,12H2,1-3H3
InChIKeyJHMZGQCSCFOTBY-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.62
Rot. Bonds4

About 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline

2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline (PubChem CID 82538614) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
PubChem CID82538614
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline
SMILESCC(C)(C)Oc1ccccc1CNc1ccccc1F
InChIInChI=1S/C17H20FNO/c1-17(2,3)20-16-11-7-4-8-13(16)12-19-15-10-6-5-9-14(15)18/h4-11,19H,12H2,1-3H3
InChIKeyJHMZGQCSCFOTBY-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
3-fluoro-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 63454704
2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
CID 39392801
4-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110446090
N-[(2-butoxy-3-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430192
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
2-fluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]aniline
CID 783773
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine
CID 82538616
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
1-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 19649540

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline?
The IUPAC name of 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline (CID 82538614) is 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline is CC(C)(C)Oc1ccccc1CNc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline?
The InChIKey is JHMZGQCSCFOTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-17(2,3)20-16-11-7-4-8-13(16)12-19-15-10-6-5-9-14(15)18/h4-11,19H,12H2,1-3H3.
What are the key properties of 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline?
2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline has a molecular weight of 273.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]aniline is sourced from PubChem (CID 82538614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).