2-(3-bromophenyl)-N,N-dimethylethanamine

C10H14BrN — CID 18367548

IUPAC2-(3-bromophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyGYUROIYIUNTCGL-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-bromophenyl)-N,N-dimethylethanamine

2-(3-bromophenyl)-N,N-dimethylethanamine (PubChem CID 18367548) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N,N-dimethylethanamine
PubChem CID18367548
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-(3-bromophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyGYUROIYIUNTCGL-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-bromophenyl)-N,N-dimethylethanamine (CID 18367548) is 2-(3-bromophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-N,N-dimethylethanamine is CN(C)CCc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N,N-dimethylethanamine?
The InChIKey is GYUROIYIUNTCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-N,N-dimethylethanamine?
2-(3-bromophenyl)-N,N-dimethylethanamine has a molecular weight of 228.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 18367548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).