2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline

C14H13BrFNO — CID 82827514

IUPAC2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline
SMILESNc1cccc(F)c1COCc1ccccc1Br
InChIInChI=1S/C14H13BrFNO/c15-12-5-2-1-4-10(12)8-18-9-11-13(16)6-3-7-14(11)17/h1-7H,8-9,17H2
InChIKeyYOAPGMVYODILDS-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.89
Rot. Bonds4

About 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline

2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline (PubChem CID 82827514) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline
PubChem CID82827514
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline
SMILESNc1cccc(F)c1COCc1ccccc1Br
InChIInChI=1S/C14H13BrFNO/c15-12-5-2-1-4-10(12)8-18-9-11-13(16)6-3-7-14(11)17/h1-7H,8-9,17H2
InChIKeyYOAPGMVYODILDS-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.89
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 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline?
The IUPAC name of 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline (CID 82827514) is 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline.
What is the SMILES notation for 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline?
The canonical SMILES for 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline is Nc1cccc(F)c1COCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline?
The InChIKey is YOAPGMVYODILDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-5-2-1-4-10(12)8-18-9-11-13(16)6-3-7-14(11)17/h1-7H,8-9,17H2.
What are the key properties of 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline?
2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline has a molecular weight of 310.17 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxymethyl]-3-fluoroaniline is sourced from PubChem (CID 82827514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).