N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline

C15H15BrClNO — CID 65323536

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
SMILESCOc1ccc(Br)c(CNc2ccc(C)cc2Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10-3-6-15(14(17)7-10)18-9-11-8-12(19-2)4-5-13(11)16/h3-8,18H,9H2,1-2H3
InChIKeyAPMLOAJFILIMFI-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.03
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline

N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline (PubChem CID 65323536) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
PubChem CID65323536
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
SMILESCOc1ccc(Br)c(CNc2ccc(C)cc2Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10-3-6-15(14(17)7-10)18-9-11-8-12(19-2)4-5-13(11)16/h3-8,18H,9H2,1-2H3
InChIKeyAPMLOAJFILIMFI-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-4-methylaniline
CID 43772623
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107610996
N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585589
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 65324051
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
N-[(2-bromo-5-methoxyphenyl)methyl]-2-tert-butylaniline
CID 65323655

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline (CID 65323536) is N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline is COc1ccc(Br)c(CNc2ccc(C)cc2Cl)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline?
The InChIKey is APMLOAJFILIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-3-6-15(14(17)7-10)18-9-11-8-12(19-2)4-5-13(11)16/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline?
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline has a molecular weight of 340.65 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline is sourced from PubChem (CID 65323536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).