5-fluoro-4-methyl-2-(2-methylpropoxy)aniline

C11H16FNO — CID 45091606

IUPAC5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
SMILESCc1cc(OCC(C)C)c(N)cc1F
InChIInChI=1S/C11H16FNO/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,7H,6,13H2,1-3H3
InChIKeyZFBUTDLAWIOHRC-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.75
Rot. Bonds3

About 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline

5-fluoro-4-methyl-2-(2-methylpropoxy)aniline (PubChem CID 45091606) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
PubChem CID45091606
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name5-fluoro-4-methyl-2-(2-methylpropoxy)aniline
SMILESCc1cc(OCC(C)C)c(N)cc1F
InChIInChI=1S/C11H16FNO/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,7H,6,13H2,1-3H3
InChIKeyZFBUTDLAWIOHRC-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.75
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

5-chloro-4-methyl-2-(2-methylpropoxy)aniline
CID 82265214
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
5-fluoro-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)aniline
CID 103591059
4-bromo-2-fluoro-5-(2-methylpropoxy)aniline
CID 139036041
5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
CID 103590975
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
5-fluoro-4-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 103590913
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809365
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline?
The IUPAC name of 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline (CID 45091606) is 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline?
The canonical SMILES for 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline is Cc1cc(OCC(C)C)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline?
The InChIKey is ZFBUTDLAWIOHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)6-14-11-4-8(3)9(12)5-10(11)13/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 5-fluoro-4-methyl-2-(2-methylpropoxy)aniline?
5-fluoro-4-methyl-2-(2-methylpropoxy)aniline has a molecular weight of 197.25 g/mol, XLogP of 2.75, 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-(2-methylpropoxy)aniline is sourced from PubChem (CID 45091606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).