2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine

C11H15BrClN — CID 29857

IUPAC2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CCBr)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15BrClN/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyULPCVUWMPUNJQU-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.56
Rot. Bonds5

About 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine

2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine (PubChem CID 29857) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine
PubChem CID29857
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine
SMILESCCN(CCBr)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15BrClN/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyULPCVUWMPUNJQU-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
Clofilium
CID 2798
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
Benzyl-(4-chloro-benzyl)-amine
CID 816344
1-(3-Chlorobenzyl)azepane
CID 791415
LY 97119
CID 194450
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
Benzylamine, N,N-bis(2-chloroethyl)-p-chloro-
CID 19183
1-[(4-Chlorophenyl)methyl]azepane
CID 791184
Propylamine, 3-(p-chlorophenyl)-N,N-dimethyl-, hydrochloride
CID 115924
(4-Chlorophenyl)(dimethylamino)acetonitrile
CID 27129
1-(2-Chlorophenyl)-N,N-dimethylmethanamine
CID 818014

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine?
The IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine (CID 29857) is 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine?
The canonical SMILES for 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine is CCN(CCBr)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine?
The InChIKey is ULPCVUWMPUNJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine?
2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine has a molecular weight of 276.60 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chlorophenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 29857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).