2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine

C11H15BrClN — CID 84811084

IUPAC2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
SMILESCNCCc1cc(Cl)c(C)c(Br)c1C
InChIInChI=1S/C11H15BrClN/c1-7-9(4-5-14-3)6-10(13)8(2)11(7)12/h6,14H,4-5H2,1-3H3
InChIKeyZYDBSQSQSGDIPG-UHFFFAOYSA-N
MW276.61 g/mol
LogP3.48
Rot. Bonds3

About 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine

2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine (PubChem CID 84811084) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
PubChem CID84811084
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
SMILESCNCCc1cc(Cl)c(C)c(Br)c1C
InChIInChI=1S/C11H15BrClN/c1-7-9(4-5-14-3)6-10(13)8(2)11(7)12/h6,14H,4-5H2,1-3H3
InChIKeyZYDBSQSQSGDIPG-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylmethanamine
CID 84807110
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117361566
3-bromo-5-chloro-2,4-dimethylaniline
CID 84797130
2-(5-bromo-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylethanamine
CID 117461082
2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
CID 84670371
2,4-dichloro-6-[2-(methylamino)ethyl]phenol
CID 83889183
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
CID 117294246
N-methyl-2-(1,2,5-trimethylpyrrol-3-yl)ethanamine
CID 82490467
2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 139824397

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine (CID 84811084) is 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine is CNCCc1cc(Cl)c(C)c(Br)c1C.
What is the InChIKey of 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is ZYDBSQSQSGDIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-7-9(4-5-14-3)6-10(13)8(2)11(7)12/h6,14H,4-5H2,1-3H3.
What are the key properties of 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine?
2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 276.61 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 84811084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).