2-(3-bromophenyl)-N-methylethanamine;hydrochloride

C9H13BrClN — CID 70245866

IUPAC2-(3-bromophenyl)-N-methylethanamine;hydrochloride
SMILESCNCCc1cccc(Br)c1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-11-6-5-8-3-2-4-9(10)7-8;/h2-4,7,11H,5-6H2,1H3;1H
InChIKeyZFHNLQQYLVKJBK-UHFFFAOYSA-N
MW250.57 g/mol
LogP2.63
Rot. Bonds3

About 2-(3-bromophenyl)-N-methylethanamine;hydrochloride

2-(3-bromophenyl)-N-methylethanamine;hydrochloride (PubChem CID 70245866) has the molecular formula C9H13BrClN and a molecular weight of 250.57 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methylethanamine;hydrochloride
PubChem CID70245866
Molecular FormulaC9H13BrClN
Molecular Weight250.57 g/mol
Exact Mass248.99
IUPAC Name2-(3-bromophenyl)-N-methylethanamine;hydrochloride
SMILESCNCCc1cccc(Br)c1.Cl
InChIInChI=1S/C9H12BrN.ClH/c1-11-6-5-8-3-2-4-9(10)7-8;/h2-4,7,11H,5-6H2,1H3;1H
InChIKeyZFHNLQQYLVKJBK-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-N-methylethanamine;hydrochloride (CID 70245866) is 2-(3-bromophenyl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-N-methylethanamine;hydrochloride is CNCCc1cccc(Br)c1.Cl.
What is the InChIKey of 2-(3-bromophenyl)-N-methylethanamine;hydrochloride?
The InChIKey is ZFHNLQQYLVKJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN.ClH/c1-11-6-5-8-3-2-4-9(10)7-8;/h2-4,7,11H,5-6H2,1H3;1H.
What are the key properties of 2-(3-bromophenyl)-N-methylethanamine;hydrochloride?
2-(3-bromophenyl)-N-methylethanamine;hydrochloride has a molecular weight of 250.57 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 70245866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).