1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine

C9H11BrClN — CID 135395590

IUPAC1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Br)c1Cl
InChIInChI=1S/C9H11BrClN/c1-12(2)6-7-4-3-5-8(10)9(7)11/h3-5H,6H2,1-2H3
InChIKeyNYXPMOVKRZIUPR-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.16
Rot. Bonds2

About 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine

1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine (PubChem CID 135395590) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
PubChem CID135395590
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Br)c1Cl
InChIInChI=1S/C9H11BrClN/c1-12(2)6-7-4-3-5-8(10)9(7)11/h3-5H,6H2,1-2H3
InChIKeyNYXPMOVKRZIUPR-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine (CID 135395590) is 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine is CN(C)Cc1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine?
The InChIKey is NYXPMOVKRZIUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-12(2)6-7-4-3-5-8(10)9(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine?
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine has a molecular weight of 248.55 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 135395590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).