3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline

C10H14FNO — CID 87583230

IUPAC3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline
SMILESCC(C)(C)ONc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-10(2,3)13-12-9-6-4-5-8(11)7-9/h4-7,12H,1-3H3
InChIKeyUWYCXKNOUARLIP-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.97
Rot. Bonds2

About 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline

3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline (PubChem CID 87583230) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline
PubChem CID87583230
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline
SMILESCC(C)(C)ONc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c1-10(2,3)13-12-9-6-4-5-8(11)7-9/h4-7,12H,1-3H3
InChIKeyUWYCXKNOUARLIP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline?
The IUPAC name of 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline (CID 87583230) is 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline.
What is the SMILES notation for 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline?
The canonical SMILES for 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline is CC(C)(C)ONc1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline?
The InChIKey is UWYCXKNOUARLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(2,3)13-12-9-6-4-5-8(11)7-9/h4-7,12H,1-3H3.
What are the key properties of 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline?
3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline has a molecular weight of 183.23 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-methylpropan-2-yl)oxy]aniline is sourced from PubChem (CID 87583230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).