1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine

C10H13BrClN — CID 126980983

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C10H13BrClN/c1-6-4-9(11)8(5-10(6)12)7(2)13-3/h4-5,7,13H,1-3H3
InChIKeyDLIIZDLREYBVFK-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.69
Rot. Bonds2

About 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine

1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine (PubChem CID 126980983) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine
PubChem CID126980983
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine
SMILESCNC(C)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C10H13BrClN/c1-6-4-9(11)8(5-10(6)12)7(2)13-3/h4-5,7,13H,1-3H3
InChIKeyDLIIZDLREYBVFK-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
1-(2-bromo-5-chloro-4-methylphenyl)propylhydrazine
CID 130551399
(1S)-1-(2-bromo-4,5-difluorophenyl)-N-methylethanamine
CID 131091332
1-[1-(2-bromo-5-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 104725037
(1S)-1-(5-bromo-2-chloro-4-pyridinyl)-N-methylethanamine
CID 130737898
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
CID 82783154

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine (CID 126980983) is 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine is CNC(C)c1cc(Cl)c(C)cc1Br.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine?
The InChIKey is DLIIZDLREYBVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN/c1-6-4-9(11)8(5-10(6)12)7(2)13-3/h4-5,7,13H,1-3H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine?
1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine has a molecular weight of 262.58 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 126980983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).