4-[(3-fluorophenyl)methoxy]-3-methylaniline

C14H14FNO — CID 22137933

IUPAC4-[(3-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cc(N)ccc1OCc1cccc(F)c1
InChIInChI=1S/C14H14FNO/c1-10-7-13(16)5-6-14(10)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyAYRPFSARUAYCRQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.30
Rot. Bonds3

About 4-[(3-fluorophenyl)methoxy]-3-methylaniline

4-[(3-fluorophenyl)methoxy]-3-methylaniline (PubChem CID 22137933) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-3-methylaniline.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-3-methylaniline
PubChem CID22137933
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name4-[(3-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cc(N)ccc1OCc1cccc(F)c1
InChIInChI=1S/C14H14FNO/c1-10-7-13(16)5-6-14(10)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyAYRPFSARUAYCRQ-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-bromo-3-[(3-fluorophenyl)methoxy]aniline
CID 103008828
4-amino-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 106954877
4-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylaniline
CID 115981173
2-bromo-1-[(3-fluorophenyl)methoxy]-4-methylbenzene
CID 28533453
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
3-[(3-fluorophenyl)methoxy]-4-methylbenzenecarbothioamide
CID 107656435
4-[(3-fluorophenyl)methylsulfanyl]-3-methylaniline
CID 43303172
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
6-(3-aminophenyl)-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 69087263
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-methylaniline?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-methylaniline (CID 22137933) is 4-[(3-fluorophenyl)methoxy]-3-methylaniline.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-3-methylaniline?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-3-methylaniline is Cc1cc(N)ccc1OCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-3-methylaniline?
The InChIKey is AYRPFSARUAYCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-7-13(16)5-6-14(10)17-9-11-3-2-4-12(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-3-methylaniline?
4-[(3-fluorophenyl)methoxy]-3-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 4-[(3-fluorophenyl)methoxy]-3-methylaniline is sourced from PubChem (CID 22137933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).