2-(4-bromophenyl)-N-methylethanamine

C9H12BrN — CID 18367556

IUPAC2-(4-bromophenyl)-N-methylethanamine
SMILESCNCCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKeyCJLDHHONSQXJTC-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.21
Rot. Bonds3

About 2-(4-bromophenyl)-N-methylethanamine

2-(4-bromophenyl)-N-methylethanamine (PubChem CID 18367556) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methylethanamine
PubChem CID18367556
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name2-(4-bromophenyl)-N-methylethanamine
SMILESCNCCc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKeyCJLDHHONSQXJTC-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-methylethanamine (CID 18367556) is 2-(4-bromophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-methylethanamine is CNCCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methylethanamine?
The InChIKey is CJLDHHONSQXJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-methylethanamine?
2-(4-bromophenyl)-N-methylethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methylethanamine is sourced from PubChem (CID 18367556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).