5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline

C15H16FNO — CID 114252463

IUPAC5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2cc(F)ccc2C)cc1N
InChIInChI=1S/C15H16FNO/c1-10-3-5-13(16)7-12(10)9-18-14-6-4-11(2)15(17)8-14/h3-8H,9,17H2,1-2H3
InChIKeyFZRLMUSHBYFZKQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.60
Rot. Bonds3

About 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline

5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline (PubChem CID 114252463) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
PubChem CID114252463
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2cc(F)ccc2C)cc1N
InChIInChI=1S/C15H16FNO/c1-10-3-5-13(16)7-12(10)9-18-14-6-4-11(2)15(17)8-14/h3-8H,9,17H2,1-2H3
InChIKeyFZRLMUSHBYFZKQ-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.60
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

5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
5-[(4-fluorophenoxy)methyl]-2-methylaniline
CID 117221912
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
2-[(4-bromo-3-methylphenoxy)methyl]-5-fluoroaniline
CID 83133849
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860
1-(3-chloroprop-1-ynyl)-4-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbenzene
CID 105374481
3-[(5-fluoro-2-methylphenyl)methoxy]-4-methoxyaniline
CID 105369714
2-amino-3-[(5-fluoro-2-methylphenyl)methoxy]phenol
CID 105369791
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812
1-[5-[(5-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105370370

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline?
The IUPAC name of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline (CID 114252463) is 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline?
The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline is Cc1ccc(OCc2cc(F)ccc2C)cc1N.
What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline?
The InChIKey is FZRLMUSHBYFZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10-3-5-13(16)7-12(10)9-18-14-6-4-11(2)15(17)8-14/h3-8H,9,17H2,1-2H3.
What are the key properties of 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline?
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline has a molecular weight of 245.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 114252463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).