4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline

C15H14ClF2NO — CID 63735170

IUPAC4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
SMILESCCc1cc(Oc2ccc(N)cc2C(F)F)ccc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-2-9-7-11(4-5-13(9)16)20-14-6-3-10(19)8-12(14)15(17)18/h3-8,15H,2,19H2,1H3
InChIKeyNEOACQNKUIPDJM-UHFFFAOYSA-N
MW297.73 g/mol
LogP5.21
Rot. Bonds4

About 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline

4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline (PubChem CID 63735170) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline.

Molecular Properties

Compound Name4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
PubChem CID63735170
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
SMILESCCc1cc(Oc2ccc(N)cc2C(F)F)ccc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-2-9-7-11(4-5-13(9)16)20-14-6-3-10(19)8-12(14)15(17)18/h3-8,15H,2,19H2,1H3
InChIKeyNEOACQNKUIPDJM-UHFFFAOYSA-N
XLogP5.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.73
LogP ≤ 55.21
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

3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline
CID 63736549
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
3,5-dichloro-4-(4-chloro-3-ethylphenoxy)aniline
CID 106891009
2-(4-chloro-3-ethylphenoxy)quinolin-6-amine
CID 43451123
1-[4-(4-chloro-3-ethylphenoxy)-3-fluorophenyl]ethanamine
CID 43247772
(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
CID 103960549
3-amino-4-(4-chloro-3-ethylphenoxy)benzoic acid
CID 60986682
4-bromo-2-(4-chloro-3-ethylphenoxy)-5-fluoroaniline
CID 116736483
1-[2-(4-chloro-3-ethylphenoxy)phenyl]-N-methylethanamine
CID 43286020
4-(3-chloro-2-fluorophenoxy)-3-(difluoromethyl)aniline
CID 116688566
2-(4-chloro-3-ethylphenoxy)-5-nitroaniline
CID 63458584

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline?
The IUPAC name of 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline (CID 63735170) is 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline.
What is the SMILES notation for 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline?
The canonical SMILES for 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline is CCc1cc(Oc2ccc(N)cc2C(F)F)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline?
The InChIKey is NEOACQNKUIPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-2-9-7-11(4-5-13(9)16)20-14-6-3-10(19)8-12(14)15(17)18/h3-8,15H,2,19H2,1H3.
What are the key properties of 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline?
4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline has a molecular weight of 297.73 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline is sourced from PubChem (CID 63735170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).