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

C15H15BrClNO — CID 107582300

IUPAC3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(Cl)cc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-10-5-12(16)8-14(6-10)18-9-11-7-13(17)3-4-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyYOIRZNIZDOEEQZ-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.03
Rot. Bonds4

About 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline

3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline (PubChem CID 107582300) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
PubChem CID107582300
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline
SMILESCOc1ccc(Cl)cc1CNc1cc(C)cc(Br)c1
InChIInChI=1S/C15H15BrClNO/c1-10-5-12(16)8-14(6-10)18-9-11-7-13(17)3-4-15(11)19-2/h3-8,18H,9H2,1-2H3
InChIKeyYOIRZNIZDOEEQZ-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

3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline (CID 107582300) is 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline is COc1ccc(Cl)cc1CNc1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline?
The InChIKey is YOIRZNIZDOEEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-5-12(16)8-14(6-10)18-9-11-7-13(17)3-4-15(11)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline?
3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-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 3-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).