2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline

C14H13ClFNO — CID 102615044

IUPAC2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2cc(F)ccc2Cl)c(N)c1
InChIInChI=1S/C14H13ClFNO/c1-9-2-5-14(13(17)6-9)18-8-10-7-11(16)3-4-12(10)15/h2-7H,8,17H2,1H3
InChIKeyKOLFYGUKJYDWFG-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.95
Rot. Bonds3

About 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline

2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline (PubChem CID 102615044) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
PubChem CID102615044
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2cc(F)ccc2Cl)c(N)c1
InChIInChI=1S/C14H13ClFNO/c1-9-2-5-14(13(17)6-9)18-8-10-7-11(16)3-4-12(10)15/h2-7H,8,17H2,1H3
InChIKeyKOLFYGUKJYDWFG-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.95
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-[(2-chloro-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 102616489
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
CID 102702452
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline (CID 102615044) is 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline is Cc1ccc(OCc2cc(F)ccc2Cl)c(N)c1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline?
The InChIKey is KOLFYGUKJYDWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9-2-5-14(13(17)6-9)18-8-10-7-11(16)3-4-12(10)15/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline?
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline has a molecular weight of 265.72 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline is sourced from PubChem (CID 102615044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).