2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline

C15H15Br2N — CID 63446574

IUPAC2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cc(Br)ccc2Br)c1C
InChIInChI=1S/C15H15Br2N/c1-10-4-3-5-12(11(10)2)9-18-15-8-13(16)6-7-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyIIAMEKHCEHDLAD-UHFFFAOYSA-N
MW369.10 g/mol
LogP5.44
Rot. Bonds3

About 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline

2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline (PubChem CID 63446574) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
PubChem CID63446574
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Name2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline
SMILESCc1cccc(CNc2cc(Br)ccc2Br)c1C
InChIInChI=1S/C15H15Br2N/c1-10-4-3-5-12(11(10)2)9-18-15-8-13(16)6-7-14(15)17/h3-8,18H,9H2,1-2H3
InChIKeyIIAMEKHCEHDLAD-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.10
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N-[(2,3-dimethylphenyl)methyl]-4-methylaniline
CID 104723045
2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772
2,5-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43432251
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
4-bromo-N-[(2,3-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 107572266
N-[(2,3-dimethylphenyl)methyl]-2-fluoro-3-methylaniline
CID 114254476
2-[(2-bromo-5-fluoroanilino)methyl]-6-methylphenol
CID 107632779
2,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)aniline
CID 43736621
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
5-bromo-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 61060558

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline?
The IUPAC name of 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline (CID 63446574) is 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline is Cc1cccc(CNc2cc(Br)ccc2Br)c1C.
What is the InChIKey of 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline?
The InChIKey is IIAMEKHCEHDLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-10-4-3-5-12(11(10)2)9-18-15-8-13(16)6-7-14(15)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline?
2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline has a molecular weight of 369.10 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(2,3-dimethylphenyl)methyl]aniline is sourced from PubChem (CID 63446574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).