N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine

C11H15BrClN — CID 125116042

IUPACN-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1c(Cl)cccc1Br
InChIInChI=1S/C11H15BrClN/c1-3-14(4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3
InChIKeyGPMGAVGABHMJET-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.94
Rot. Bonds4

About N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine

N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine (PubChem CID 125116042) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine
PubChem CID125116042
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC NameN-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1c(Cl)cccc1Br
InChIInChI=1S/C11H15BrClN/c1-3-14(4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3
InChIKeyGPMGAVGABHMJET-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine 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

1-bromo-3-chloro-2-ethylbenzene
CID 54267312
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036
N-[(4-bromo-3-chlorophenyl)methyl]-N-ethylethanamine
CID 74889407
2-[[benzyl(ethyl)amino]methyl]-3-bromoaniline
CID 43168955
1-[(2-amino-6-bromophenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79384296
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
2-(2-bromo-6-chlorophenyl)acetic acid
CID 53446365
2-[(2-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 28825797
N-ethyl-N-[[3,4,6-trichloro-2-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 101180694
1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine (CID 125116042) is N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine is CCN(CC)Cc1c(Cl)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine?
The InChIKey is GPMGAVGABHMJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-3-14(4-2)8-9-10(12)6-5-7-11(9)13/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine?
N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine has a molecular weight of 276.60 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-chlorophenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 125116042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).