3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline

C15H15ClFNO — CID 172654236

IUPAC3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-9(2)19-13-6-10(5-12(18)8-13)14-7-11(17)3-4-15(14)16/h3-9H,18H2,1-2H3
InChIKeyYBVIOVCFRSYMHY-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.52
Rot. Bonds3

About 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline

3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline (PubChem CID 172654236) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline
PubChem CID172654236
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-9(2)19-13-6-10(5-12(18)8-13)14-7-11(17)3-4-15(14)16/h3-9H,18H2,1-2H3
InChIKeyYBVIOVCFRSYMHY-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.52
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

4-(2-chloro-5-fluorophenyl)aniline
CID 105395647
[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride
CID 172653793
3-(2,5-difluorophenyl)-5-methoxyaniline
CID 156592012
3-propan-2-yloxy-5-thiophen-3-ylaniline
CID 172650308
2-chloro-5-propan-2-yloxyaniline
CID 39237829
3-N-(2-chloro-4-methylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721519
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
3-N-(3,4-difluorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723054
3-propan-2-yl-5-propan-2-yloxyaniline
CID 131411497
3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
CID 80748608
5-fluoro-2-(3-propan-2-yloxyphenyl)phenol
CID 83130979
3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
CID 80753185

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline?
The IUPAC name of 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline (CID 172654236) is 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline?
The canonical SMILES for 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline is CC(C)Oc1cc(N)cc(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline?
The InChIKey is YBVIOVCFRSYMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9(2)19-13-6-10(5-12(18)8-13)14-7-11(17)3-4-15(14)16/h3-9H,18H2,1-2H3.
What are the key properties of 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline?
3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline has a molecular weight of 279.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline is sourced from PubChem (CID 172654236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).