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

C14H14FNO — CID 39247930

IUPAC2-[(2-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2ccccc2F)c(N)c1
InChIInChI=1S/C14H14FNO/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8H,9,16H2,1H3
InChIKeyBSBXSZAEWIOGHS-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.30
Rot. Bonds3

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

2-[(2-fluorophenyl)methoxy]-5-methylaniline (PubChem CID 39247930) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-5-methylaniline
PubChem CID39247930
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-[(2-fluorophenyl)methoxy]-5-methylaniline
SMILESCc1ccc(OCc2ccccc2F)c(N)c1
InChIInChI=1S/C14H14FNO/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8H,9,16H2,1H3
InChIKeyBSBXSZAEWIOGHS-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.30
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

4-[(2-fluorophenyl)methoxy]benzene-1,3-diamine
CID 142729124
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326290
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
3-[(2-amino-4-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 107113741
2-[(2-fluorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66278256
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-5-methylaniline?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-5-methylaniline (CID 39247930) is 2-[(2-fluorophenyl)methoxy]-5-methylaniline.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-5-methylaniline?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-5-methylaniline is Cc1ccc(OCc2ccccc2F)c(N)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-5-methylaniline?
The InChIKey is BSBXSZAEWIOGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methoxy]-5-methylaniline?
2-[(2-fluorophenyl)methoxy]-5-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-5-methylaniline is sourced from PubChem (CID 39247930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).