2-fluoro-5-(4-propan-2-yloxyphenyl)aniline

C15H16FNO — CID 82085777

IUPAC2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1ccc(-c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H16FNO/c1-10(2)18-13-6-3-11(4-7-13)12-5-8-14(16)15(17)9-12/h3-10H,17H2,1-2H3
InChIKeyLPVDVTBFCAZAOF-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.86
Rot. Bonds3

About 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline

2-fluoro-5-(4-propan-2-yloxyphenyl)aniline (PubChem CID 82085777) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
PubChem CID82085777
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1ccc(-c2ccc(F)c(N)c2)cc1
InChIInChI=1S/C15H16FNO/c1-10(2)18-13-6-3-11(4-7-13)12-5-8-14(16)15(17)9-12/h3-10H,17H2,1-2H3
InChIKeyLPVDVTBFCAZAOF-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline?
The IUPAC name of 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline (CID 82085777) is 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline.
What is the SMILES notation for 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline?
The canonical SMILES for 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline is CC(C)Oc1ccc(-c2ccc(F)c(N)c2)cc1.
What is the InChIKey of 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline?
The InChIKey is LPVDVTBFCAZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10(2)18-13-6-3-11(4-7-13)12-5-8-14(16)15(17)9-12/h3-10H,17H2,1-2H3.
What are the key properties of 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline?
2-fluoro-5-(4-propan-2-yloxyphenyl)aniline has a molecular weight of 245.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-propan-2-yloxyphenyl)aniline is sourced from PubChem (CID 82085777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).