2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

C16H16BrClFNO — CID 107610259

IUPAC2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(CC(C)Nc2c(Cl)cc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrClFNO/c1-10(7-11-3-5-13(21-2)6-4-11)20-16-14(17)8-12(19)9-15(16)18/h3-6,8-10,20H,7H2,1-2H3
InChIKeyBSSYDRHTQDPEET-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.29
Rot. Bonds5

About 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline

2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (PubChem CID 107610259) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
PubChem CID107610259
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccc(CC(C)Nc2c(Cl)cc(F)cc2Br)cc1
InChIInChI=1S/C16H16BrClFNO/c1-10(7-11-3-5-13(21-2)6-4-11)20-16-14(17)8-12(19)9-15(16)18/h3-6,8-10,20H,7H2,1-2H3
InChIKeyBSSYDRHTQDPEET-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43508695
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
CID 107610311
2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
CID 107610038
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methoxyaniline
CID 114830578
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline
CID 114830408
2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 107610073
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline (CID 107610259) is 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline is COc1ccc(CC(C)Nc2c(Cl)cc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is BSSYDRHTQDPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-10(7-11-3-5-13(21-2)6-4-11)20-16-14(17)8-12(19)9-15(16)18/h3-6,8-10,20H,7H2,1-2H3.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline?
2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 372.67 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 107610259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).