4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline

C15H14BrClFNO — CID 114452669

IUPAC4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14BrClFNO/c1-9-3-11(16)6-14(20-2)15(9)19-8-10-4-12(17)7-13(18)5-10/h3-7,19H,8H2,1-2H3
InChIKeySVJQQXMRGCVUFZ-UHFFFAOYSA-N
MW358.64 g/mol
LogP5.17
Rot. Bonds4

About 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline

4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline (PubChem CID 114452669) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline
PubChem CID114452669
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline
SMILESCOc1cc(Br)cc(C)c1NCc1cc(F)cc(Cl)c1
InChIInChI=1S/C15H14BrClFNO/c1-9-3-11(16)6-14(20-2)15(9)19-8-10-4-12(17)7-13(18)5-10/h3-7,19H,8H2,1-2H3
InChIKeySVJQQXMRGCVUFZ-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-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

4-bromo-N-[(3-fluorophenyl)methyl]-2-methoxy-6-methylaniline
CID 54864255
4-bromo-N-[(4-chlorothiophen-2-yl)methyl]-2-methoxy-6-methylaniline
CID 79420515
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
2-bromo-4-[(2,6-dichloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83078315
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587
4-bromo-N-(1H-indol-6-ylmethyl)-2-methoxy-6-methylaniline
CID 102910112
4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-4-nitroaniline
CID 114452472
4-bromo-2-methoxy-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 54864304
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586
N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60789912

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
The IUPAC name of 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline (CID 114452669) is 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline.
What is the SMILES notation for 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
The canonical SMILES for 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline is COc1cc(Br)cc(C)c1NCc1cc(F)cc(Cl)c1.
What is the InChIKey of 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
The InChIKey is SVJQQXMRGCVUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-9-3-11(16)6-14(20-2)15(9)19-8-10-4-12(17)7-13(18)5-10/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline?
4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline has a molecular weight of 358.64 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-chloro-5-fluorophenyl)methyl]-2-methoxy-6-methylaniline is sourced from PubChem (CID 114452669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).