2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline

C17H20FNO — CID 64768828

IUPAC2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline
SMILESCC(C)(C)c1ccccc1OCc1ccc(F)cc1N
InChIInChI=1S/C17H20FNO/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-8-9-13(18)10-15(12)19/h4-10H,11,19H2,1-3H3
InChIKeyFMYHOGRYPJBJAP-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.28
Rot. Bonds3

About 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline

2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline (PubChem CID 64768828) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline
PubChem CID64768828
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline
SMILESCC(C)(C)c1ccccc1OCc1ccc(F)cc1N
InChIInChI=1S/C17H20FNO/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-8-9-13(18)10-15(12)19/h4-10H,11,19H2,1-3H3
InChIKeyFMYHOGRYPJBJAP-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
CID 64765519
4-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 64769075
2-[(2-tert-butylphenoxy)methyl]-4-chloroaniline
CID 79582500
2-[(2,6-dimethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768237
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
2-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 63331805
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
3-[(2-amino-4-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 107655617

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline?
The IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline (CID 64768828) is 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline?
The canonical SMILES for 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline is CC(C)(C)c1ccccc1OCc1ccc(F)cc1N.
What is the InChIKey of 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline?
The InChIKey is FMYHOGRYPJBJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-8-9-13(18)10-15(12)19/h4-10H,11,19H2,1-3H3.
What are the key properties of 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline?
2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline has a molecular weight of 273.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline is sourced from PubChem (CID 64768828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).