3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline

C15H15BrClNO — CID 106863048

IUPAC3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NCc2ccc(C)cc2Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10-3-4-11(15(17)5-10)9-18-13-6-12(16)7-14(8-13)19-2/h3-8,18H,9H2,1-2H3
InChIKeyPBUIZGMLUXSGMN-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.03
Rot. Bonds4

About 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline

3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline (PubChem CID 106863048) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
PubChem CID106863048
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NCc2ccc(C)cc2Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10-3-4-11(15(17)5-10)9-18-13-6-12(16)7-14(8-13)19-2/h3-8,18H,9H2,1-2H3
InChIKeyPBUIZGMLUXSGMN-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

4-[(3-bromo-5-methoxyanilino)methyl]-3-chlorobenzonitrile
CID 102664943
3-bromo-N-[(2,4-difluorophenyl)methyl]-5-methoxyaniline
CID 82857286
3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
CID 112652219
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
4-bromo-3-chloro-N-[(2-chloro-4-methylphenyl)methyl]aniline
CID 107619896
3,5-dichloro-N-[(2-chloro-4-methylphenyl)methyl]-4-fluoroaniline
CID 107573899
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
3-bromo-N-[(2,6-dimethylphenyl)methyl]-5-methoxyaniline
CID 82868424
3-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-5-methylaniline
CID 107583118
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
4-[(3-bromo-5-methylanilino)methyl]-3-chlorobenzonitrile
CID 107583304
2-[2-[(3-bromo-5-methoxyanilino)methyl]phenyl]acetic acid
CID 82861170

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline?
The IUPAC name of 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline (CID 106863048) is 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline is COc1cc(Br)cc(NCc2ccc(C)cc2Cl)c1.
What is the InChIKey of 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline?
The InChIKey is PBUIZGMLUXSGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-3-4-11(15(17)5-10)9-18-13-6-12(16)7-14(8-13)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline?
3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline 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 3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 106863048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).