N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline

C17H20FNO — CID 82537145

IUPACN-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline
SMILESCc1cc(OC(C)(C)C)ccc1Nc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-12-10-15(20-17(2,3)4)8-9-16(12)19-14-7-5-6-13(18)11-14/h5-11,19H,1-4H3
InChIKeyAUELURFXFKUQBW-UHFFFAOYSA-N
MW273.35 g/mol
LogP5.06
Rot. Bonds3

About N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline

N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline (PubChem CID 82537145) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline
PubChem CID82537145
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline
SMILESCc1cc(OC(C)(C)C)ccc1Nc1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-12-10-15(20-17(2,3)4)8-9-16(12)19-14-7-5-6-13(18)11-14/h5-11,19H,1-4H3
InChIKeyAUELURFXFKUQBW-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(2-methylpropan-2-yl)oxy]-N-phenylaniline
CID 82537405
4-(3-fluoroanilino)-3-methylbenzenecarbothioamide
CID 54934525
1-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 123252856
2-bromo-4-tert-butyl-N-(3-fluorophenyl)aniline
CID 177279159
4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene;1-methyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 161463875
4-ethoxy-2-methyl-N-(3-methylphenyl)aniline
CID 70470964
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
3-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 175464323
3-fluoro-N-phenylaniline
CID 2774466
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline (CID 82537145) is N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline is Cc1cc(OC(C)(C)C)ccc1Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline?
The InChIKey is AUELURFXFKUQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-10-15(20-17(2,3)4)8-9-16(12)19-14-7-5-6-13(18)11-14/h5-11,19H,1-4H3.
What are the key properties of N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline?
N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline has a molecular weight of 273.35 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-4-[(2-methylpropan-2-yl)oxy]aniline is sourced from PubChem (CID 82537145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).