5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline

C14H12BrClFNO — CID 102615064

IUPAC5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cc(Br)cc(N)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-8-4-10(15)6-13(18)14(8)19-7-9-5-11(17)2-3-12(9)16/h2-6H,7,18H2,1H3
InChIKeySDBPGERADFUNTB-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.71
Rot. Bonds3

About 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline

5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline (PubChem CID 102615064) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline.

Molecular Properties

Compound Name5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline
PubChem CID102615064
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline
SMILESCc1cc(Br)cc(N)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-8-4-10(15)6-13(18)14(8)19-7-9-5-11(17)2-3-12(9)16/h2-6H,7,18H2,1H3
InChIKeySDBPGERADFUNTB-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102616221
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065
5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-1-(chloromethyl)-3-methylbenzene
CID 115962301
4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 102616192
1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115961108
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-3-methylaniline
CID 79843197
1-[3-amino-5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 114345665
2-[2-[(2-amino-4-bromo-6-methylphenoxy)methyl]phenyl]acetic acid
CID 115460531
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 102615256
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline?
The IUPAC name of 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline (CID 102615064) is 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline.
What is the SMILES notation for 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline?
The canonical SMILES for 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline is Cc1cc(Br)cc(N)c1OCc1cc(F)ccc1Cl.
What is the InChIKey of 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline?
The InChIKey is SDBPGERADFUNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-8-4-10(15)6-13(18)14(8)19-7-9-5-11(17)2-3-12(9)16/h2-6H,7,18H2,1H3.
What are the key properties of 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline?
5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline has a molecular weight of 344.61 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline is sourced from PubChem (CID 102615064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).