2-fluoro-3-(propan-2-yloxymethyl)aniline

C10H14FNO — CID 107347884

IUPAC2-fluoro-3-(propan-2-yloxymethyl)aniline
SMILESCC(C)OCc1cccc(N)c1F
InChIInChI=1S/C10H14FNO/c1-7(2)13-6-8-4-3-5-9(12)10(8)11/h3-5,7H,6,12H2,1-2H3
InChIKeyRJWZETATSAKUIR-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.33
Rot. Bonds3

About 2-fluoro-3-(propan-2-yloxymethyl)aniline

2-fluoro-3-(propan-2-yloxymethyl)aniline (PubChem CID 107347884) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-3-(propan-2-yloxymethyl)aniline.

Molecular Properties

Compound Name2-fluoro-3-(propan-2-yloxymethyl)aniline
PubChem CID107347884
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-fluoro-3-(propan-2-yloxymethyl)aniline
SMILESCC(C)OCc1cccc(N)c1F
InChIInChI=1S/C10H14FNO/c1-7(2)13-6-8-4-3-5-9(12)10(8)11/h3-5,7H,6,12H2,1-2H3
InChIKeyRJWZETATSAKUIR-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.33
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-fluoro-3-(3-methylbutoxymethyl)aniline
CID 107347874
2-fluoro-3-(4-methylpentoxymethyl)aniline
CID 107347911
[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 107114173
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
2-fluoro-3-(3-methylbutan-2-ylsulfanylmethyl)aniline
CID 107748794
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
CID 107347960
3-[[butan-2-yl(methyl)amino]methyl]-2-fluoroaniline
CID 107347223
3-propan-2-yl-2-(propan-2-yloxymethyl)aniline
CID 174277979
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559
3-[(2-bromophenoxy)methyl]-2-fluoroaniline
CID 107347891

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(propan-2-yloxymethyl)aniline?
The IUPAC name of 2-fluoro-3-(propan-2-yloxymethyl)aniline (CID 107347884) is 2-fluoro-3-(propan-2-yloxymethyl)aniline.
What is the SMILES notation for 2-fluoro-3-(propan-2-yloxymethyl)aniline?
The canonical SMILES for 2-fluoro-3-(propan-2-yloxymethyl)aniline is CC(C)OCc1cccc(N)c1F.
What is the InChIKey of 2-fluoro-3-(propan-2-yloxymethyl)aniline?
The InChIKey is RJWZETATSAKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-7(2)13-6-8-4-3-5-9(12)10(8)11/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 2-fluoro-3-(propan-2-yloxymethyl)aniline?
2-fluoro-3-(propan-2-yloxymethyl)aniline has a molecular weight of 183.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(propan-2-yloxymethyl)aniline is sourced from PubChem (CID 107347884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).