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

C14H13Br2N — CID 82762195

IUPAC2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Br)c(NCc2cccc(Br)c2)c1
InChIInChI=1S/C14H13Br2N/c1-10-5-6-13(16)14(7-10)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9H2,1H3
InChIKeyGDKRYWRYNPKXQG-UHFFFAOYSA-N
MW355.07 g/mol
LogP5.13
Rot. Bonds3

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

2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline (PubChem CID 82762195) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
PubChem CID82762195
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Br)c(NCc2cccc(Br)c2)c1
InChIInChI=1S/C14H13Br2N/c1-10-5-6-13(16)14(7-10)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9H2,1H3
InChIKeyGDKRYWRYNPKXQG-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

2-bromo-N-[(4-bromophenyl)methyl]-5-methylaniline
CID 82762026
2-bromo-5-methyl-N-[(4-methylphenyl)methyl]aniline
CID 82760988
3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
CID 107630044
2-bromo-5-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 82761435
2-bromo-N-[(5-bromo-3-pyridinyl)methyl]-5-methylaniline
CID 104797103
2-bromo-N-[(4-bromo-3-chlorophenyl)methyl]-5-methylaniline
CID 114076624
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
2-bromo-5-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 82761852
N-[(3-bromophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230231
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 82761517
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline (CID 82762195) is 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline is Cc1ccc(Br)c(NCc2cccc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline?
The InChIKey is GDKRYWRYNPKXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-10-5-6-13(16)14(7-10)17-9-11-3-2-4-12(15)8-11/h2-8,17H,9H2,1H3.
What are the key properties of 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline?
2-bromo-N-[(3-bromophenyl)methyl]-5-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 2-bromo-N-[(3-bromophenyl)methyl]-5-methylaniline is sourced from PubChem (CID 82762195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).