2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline

C17H18ClF2NO4 — CID 59310129

IUPAC2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(Cl)c(N)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C17H18ClF2NO4/c1-22-5-6-24-15-7-11(18)13(21)8-16(15)25-9-10-14(23-2)4-3-12(19)17(10)20/h3-4,7-8H,5-6,9,21H2,1-2H3
InChIKeyCCSHZLIIRZMRKQ-UHFFFAOYSA-N
MW373.78 g/mol
LogP3.81
Rot. Bonds8

About 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline

2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline (PubChem CID 59310129) has the molecular formula C17H18ClF2NO4 and a molecular weight of 373.78 g/mol. Its IUPAC name is 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline.

Molecular Properties

Compound Name2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline
PubChem CID59310129
Molecular FormulaC17H18ClF2NO4
Molecular Weight373.78 g/mol
Exact Mass373.09
IUPAC Name2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline
SMILESCOCCOc1cc(Cl)c(N)cc1OCc1c(OC)ccc(F)c1F
InChIInChI=1S/C17H18ClF2NO4/c1-22-5-6-24-15-7-11(18)13(21)8-16(15)25-9-10-14(23-2)4-3-12(19)17(10)20/h3-4,7-8H,5-6,9,21H2,1-2H3
InChIKeyCCSHZLIIRZMRKQ-UHFFFAOYSA-N
XLogP3.81
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline?
The IUPAC name of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline (CID 59310129) is 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline.
What is the SMILES notation for 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline?
The canonical SMILES for 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline is COCCOc1cc(Cl)c(N)cc1OCc1c(OC)ccc(F)c1F.
What is the InChIKey of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline?
The InChIKey is CCSHZLIIRZMRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2NO4/c1-22-5-6-24-15-7-11(18)13(21)8-16(15)25-9-10-14(23-2)4-3-12(19)17(10)20/h3-4,7-8H,5-6,9,21H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline?
2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline has a molecular weight of 373.78 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 59310129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).