(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine

C9H11BrClN — CID 131168067

IUPAC(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H11BrClN/c1-6(12-2)8-5-7(11)3-4-9(8)10/h3-6,12H,1-2H3/t6-/m0/s1
InChIKeyUXUTXGSMLYXCAC-LURJTMIESA-N
MW248.55 g/mol
LogP3.38
Rot. Bonds2

About (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine

(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine (PubChem CID 131168067) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
PubChem CID131168067
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H11BrClN/c1-6(12-2)8-5-7(11)3-4-9(8)10/h3-6,12H,1-2H3/t6-/m0/s1
InChIKeyUXUTXGSMLYXCAC-LURJTMIESA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(2-bromo-5-chlorophenyl)-N-tert-butylsulfanylethanamine
CID 174962109
4-chloro-2-[(1S)-1-(methylamino)ethyl]phenol
CID 94343743
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
N-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 121362441
(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211
2-(2-bromo-5-chlorophenyl)propanenitrile
CID 130134968
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-bromo-4-chloro-2-(dimethoxymethyl)benzene
CID 66704681
1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
CID 83158968
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
CID 81275271

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine (CID 131168067) is (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine is CN[C@@H](C)c1cc(Cl)ccc1Br.
What is the InChIKey of (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine?
The InChIKey is UXUTXGSMLYXCAC-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrClN/c1-6(12-2)8-5-7(11)3-4-9(8)10/h3-6,12H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine?
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine has a molecular weight of 248.55 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 131168067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).