4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline

C16H18FNO — CID 126491653

IUPAC4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline
SMILESCc1ccc(C(C)(C)Oc2ccc(N)cc2)cc1F
InChIInChI=1S/C16H18FNO/c1-11-4-5-12(10-15(11)17)16(2,3)19-14-8-6-13(18)7-9-14/h4-10H,18H2,1-3H3
InChIKeyLKIZACWCSWYMKL-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.03
Rot. Bonds3

About 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline

4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline (PubChem CID 126491653) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline
PubChem CID126491653
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline
SMILESCc1ccc(C(C)(C)Oc2ccc(N)cc2)cc1F
InChIInChI=1S/C16H18FNO/c1-11-4-5-12(10-15(11)17)16(2,3)19-14-8-6-13(18)7-9-14/h4-10H,18H2,1-3H3
InChIKeyLKIZACWCSWYMKL-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline?
The IUPAC name of 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline (CID 126491653) is 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline.
What is the SMILES notation for 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline?
The canonical SMILES for 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline is Cc1ccc(C(C)(C)Oc2ccc(N)cc2)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline?
The InChIKey is LKIZACWCSWYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-4-5-12(10-15(11)17)16(2,3)19-14-8-6-13(18)7-9-14/h4-10H,18H2,1-3H3.
What are the key properties of 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline?
4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline is sourced from PubChem (CID 126491653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).