N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline

C14H13BrFNO — CID 784248

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline
SMILESCOc1ccc(Br)cc1CNc1cccc(F)c1
InChIInChI=1S/C14H13BrFNO/c1-18-14-6-5-11(15)7-10(14)9-17-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyOREZRSFLHMTSDK-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.21
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline

N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline (PubChem CID 784248) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline
PubChem CID784248
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline
SMILESCOc1ccc(Br)cc1CNc1cccc(F)c1
InChIInChI=1S/C14H13BrFNO/c1-18-14-6-5-11(15)7-10(14)9-17-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyOREZRSFLHMTSDK-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline (CID 784248) is N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline is COc1ccc(Br)cc1CNc1cccc(F)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline?
The InChIKey is OREZRSFLHMTSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-18-14-6-5-11(15)7-10(14)9-17-13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline?
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline has a molecular weight of 310.17 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 784248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).