4-fluoro-N-(2-methylpropyl)aniline

C10H14FN — CID 18543711

IUPAC4-fluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyUWTNIJUJUKUAEZ-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.89
Rot. Bonds3

About 4-fluoro-N-(2-methylpropyl)aniline

4-fluoro-N-(2-methylpropyl)aniline (PubChem CID 18543711) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methylpropyl)aniline
PubChem CID18543711
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(F)cc1
InChIInChI=1S/C10H14FN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyUWTNIJUJUKUAEZ-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylpropyl)aniline?
The IUPAC name of 4-fluoro-N-(2-methylpropyl)aniline (CID 18543711) is 4-fluoro-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-fluoro-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-fluoro-N-(2-methylpropyl)aniline is CC(C)CNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylpropyl)aniline?
The InChIKey is UWTNIJUJUKUAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methylpropyl)aniline?
4-fluoro-N-(2-methylpropyl)aniline has a molecular weight of 167.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylpropyl)aniline is sourced from PubChem (CID 18543711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).