3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline

C14H13Br2N — CID 107630044

IUPAC3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
SMILESCc1c(Br)cccc1NCc1cccc(Br)c1
InChIInChI=1S/C14H13Br2N/c1-10-13(16)6-3-7-14(10)17-9-11-4-2-5-12(15)8-11/h2-8,17H,9H2,1H3
InChIKeyBMYNYFLDWIEMAK-UHFFFAOYSA-N
MW355.07 g/mol
LogP5.13
Rot. Bonds3

About 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline

3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline (PubChem CID 107630044) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
PubChem CID107630044
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
SMILESCc1c(Br)cccc1NCc1cccc(Br)c1
InChIInChI=1S/C14H13Br2N/c1-10-13(16)6-3-7-14(10)17-9-11-4-2-5-12(15)8-11/h2-8,17H,9H2,1H3
InChIKeyBMYNYFLDWIEMAK-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.07
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
3-[(3-bromo-2-methylanilino)methyl]benzonitrile
CID 103731134
2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
CID 82762195
3-bromo-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 107630013
4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
CID 107629630
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
N-[(3-bromophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 43234751
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
3-bromo-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107630419
3-bromo-N-[(4-cyclopropylphenyl)methyl]-2-methylaniline
CID 107629796

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline?
The IUPAC name of 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline (CID 107630044) is 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline?
The canonical SMILES for 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline is Cc1c(Br)cccc1NCc1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline?
The InChIKey is BMYNYFLDWIEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-10-13(16)6-3-7-14(10)17-9-11-4-2-5-12(15)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline?
3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline has a molecular weight of 355.07 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 107630044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).