(3-bromo-2,4-dimethylphenyl)methanamine

C9H12BrN — CID 84783317

IUPAC(3-bromo-2,4-dimethylphenyl)methanamine
SMILESCc1ccc(CN)c(C)c1Br
InChIInChI=1S/C9H12BrN/c1-6-3-4-8(5-11)7(2)9(6)10/h3-4H,5,11H2,1-2H3
InChIKeyJKUNMJKEMGABAM-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.52
Rot. Bonds1

About (3-bromo-2,4-dimethylphenyl)methanamine

(3-bromo-2,4-dimethylphenyl)methanamine (PubChem CID 84783317) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is (3-bromo-2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4-dimethylphenyl)methanamine
PubChem CID84783317
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name(3-bromo-2,4-dimethylphenyl)methanamine
SMILESCc1ccc(CN)c(C)c1Br
InChIInChI=1S/C9H12BrN/c1-6-3-4-8(5-11)7(2)9(6)10/h3-4H,5,11H2,1-2H3
InChIKeyJKUNMJKEMGABAM-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-2,4-dimethylphenyl)methanamine (CID 84783317) is (3-bromo-2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-2,4-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-2,4-dimethylphenyl)methanamine is Cc1ccc(CN)c(C)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethylphenyl)methanamine?
The InChIKey is JKUNMJKEMGABAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-6-3-4-8(5-11)7(2)9(6)10/h3-4H,5,11H2,1-2H3.
What are the key properties of (3-bromo-2,4-dimethylphenyl)methanamine?
(3-bromo-2,4-dimethylphenyl)methanamine has a molecular weight of 214.11 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 84783317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).