2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline

C15H15ClFNO — CID 107615777

IUPAC2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(-c2cc(F)cc(Cl)c2N)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-7-19-12-5-3-10(4-6-12)13-8-11(17)9-14(16)15(13)18/h3-6,8-9H,2,7,18H2,1H3
InChIKeyNSABZHOMQAJNGF-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.52
Rot. Bonds4

About 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline

2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline (PubChem CID 107615777) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline
PubChem CID107615777
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline
SMILESCCCOc1ccc(-c2cc(F)cc(Cl)c2N)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-7-19-12-5-3-10(4-6-12)13-8-11(17)9-14(16)15(13)18/h3-6,8-9H,2,7,18H2,1H3
InChIKeyNSABZHOMQAJNGF-UHFFFAOYSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-chloro-4-fluoro-6-phenylaniline
CID 69144890
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
4-(4-butoxyphenyl)-2-chloro-1-fluorobenzene
CID 69208522
3-fluoro-5-propoxyaniline
CID 80752315
1-fluoro-4-[2-[4-(4-propoxyphenyl)phenyl]ethynyl]benzene
CID 67865457
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
2,6-difluoro-3-(4-propoxyphenyl)pyridine
CID 19765788
2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
CID 129226020
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
CID 107615999
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline (CID 107615777) is 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline is CCCOc1ccc(-c2cc(F)cc(Cl)c2N)cc1.
What is the InChIKey of 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline?
The InChIKey is NSABZHOMQAJNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-7-19-12-5-3-10(4-6-12)13-8-11(17)9-14(16)15(13)18/h3-6,8-9H,2,7,18H2,1H3.
What are the key properties of 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline?
2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline has a molecular weight of 279.74 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline is sourced from PubChem (CID 107615777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).