4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline

C15H15ClFNO2 — CID 116688595

IUPAC4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2cccc(Cl)c2F)ccc1N
InChIInChI=1S/C15H15ClFNO2/c1-2-8-19-14-9-10(6-7-12(14)18)20-13-5-3-4-11(16)15(13)17/h3-7,9H,2,8,18H2,1H3
InChIKeyGMTFADGHMGPVNI-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.64
Rot. Bonds5

About 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline

4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline (PubChem CID 116688595) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline
PubChem CID116688595
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline
SMILESCCCOc1cc(Oc2cccc(Cl)c2F)ccc1N
InChIInChI=1S/C15H15ClFNO2/c1-2-8-19-14-9-10(6-7-12(14)18)20-13-5-3-4-11(16)15(13)17/h3-7,9H,2,8,18H2,1H3
InChIKeyGMTFADGHMGPVNI-UHFFFAOYSA-N
XLogP4.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
4-(3-ethylphenoxy)-2-propoxyaniline
CID 63676136
4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
CID 63676750
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
CID 107712031
methyl 2-amino-5-(3-chloro-2-fluorophenoxy)benzoate
CID 116689734
5-(3-chloro-2-fluorophenoxy)-2-nitroaniline
CID 106752111
4-(5-bromo-2-methylphenoxy)-2-propoxyaniline
CID 107283362
2-ethoxy-4-propoxyaniline
CID 63677806

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline (CID 116688595) is 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline is CCCOc1cc(Oc2cccc(Cl)c2F)ccc1N.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline?
The InChIKey is GMTFADGHMGPVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-2-8-19-14-9-10(6-7-12(14)18)20-13-5-3-4-11(16)15(13)17/h3-7,9H,2,8,18H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline?
4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline has a molecular weight of 295.74 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline is sourced from PubChem (CID 116688595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).