5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline

C17H20FNO — CID 103590913

IUPAC5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
SMILESCc1cc(Oc2ccc(C(C)C)c(C)c2)c(N)cc1F
InChIInChI=1S/C17H20FNO/c1-10(2)14-6-5-13(7-11(14)3)20-17-8-12(4)15(18)9-16(17)19/h5-10H,19H2,1-4H3
InChIKeyQYWPFJFEYCXNMK-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.94
Rot. Bonds3

About 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline

5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline (PubChem CID 103590913) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
PubChem CID103590913
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
SMILESCc1cc(Oc2ccc(C(C)C)c(C)c2)c(N)cc1F
InChIInChI=1S/C17H20FNO/c1-10(2)14-6-5-13(7-11(14)3)20-17-8-12(4)15(18)9-16(17)19/h5-10H,19H2,1-4H3
InChIKeyQYWPFJFEYCXNMK-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
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

4-fluoro-5-iodo-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 66102111
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 43349562
1,2-difluoro-4-methyl-5-(3-methyl-4-propan-2-ylphenoxy)benzene
CID 177076482
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
3-fluoro-4-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 43657439
5-fluoro-4-methyl-2-pyridin-3-yloxyaniline
CID 103590987
5-fluoro-4-methyl-2-quinolin-7-yloxyaniline
CID 107313172
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63815601
2-[4-(2-amino-4-fluoro-5-methylphenoxy)phenyl]acetonitrile
CID 103590907
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
2-amino-5-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 115499738

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The IUPAC name of 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline (CID 103590913) is 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline is Cc1cc(Oc2ccc(C(C)C)c(C)c2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
The InChIKey is QYWPFJFEYCXNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-10(2)14-6-5-13(7-11(14)3)20-17-8-12(4)15(18)9-16(17)19/h5-10H,19H2,1-4H3.
What are the key properties of 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline?
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline has a molecular weight of 273.35 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 103590913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).