4-(3-fluorophenyl)-2-methoxy-5-methylaniline

C14H14FNO — CID 171037302

IUPAC4-(3-fluorophenyl)-2-methoxy-5-methylaniline
SMILESCOc1cc(-c2cccc(F)c2)c(C)cc1N
InChIInChI=1S/C14H14FNO/c1-9-6-13(16)14(17-2)8-12(9)10-4-3-5-11(15)7-10/h3-8H,16H2,1-2H3
InChIKeyOMGQNLBBURBAES-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.39
Rot. Bonds2

About 4-(3-fluorophenyl)-2-methoxy-5-methylaniline

4-(3-fluorophenyl)-2-methoxy-5-methylaniline (PubChem CID 171037302) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methoxy-5-methylaniline
PubChem CID171037302
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name4-(3-fluorophenyl)-2-methoxy-5-methylaniline
SMILESCOc1cc(-c2cccc(F)c2)c(C)cc1N
InChIInChI=1S/C14H14FNO/c1-9-6-13(16)14(17-2)8-12(9)10-4-3-5-11(15)7-10/h3-8H,16H2,1-2H3
InChIKeyOMGQNLBBURBAES-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methoxy-5-methylaniline?
The IUPAC name of 4-(3-fluorophenyl)-2-methoxy-5-methylaniline (CID 171037302) is 4-(3-fluorophenyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methoxy-5-methylaniline?
The canonical SMILES for 4-(3-fluorophenyl)-2-methoxy-5-methylaniline is COc1cc(-c2cccc(F)c2)c(C)cc1N.
What is the InChIKey of 4-(3-fluorophenyl)-2-methoxy-5-methylaniline?
The InChIKey is OMGQNLBBURBAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-9-6-13(16)14(17-2)8-12(9)10-4-3-5-11(15)7-10/h3-8H,16H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-2-methoxy-5-methylaniline?
4-(3-fluorophenyl)-2-methoxy-5-methylaniline has a molecular weight of 231.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 171037302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).