N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine

C11H15BrClN — CID 3172

IUPACN-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine
SMILESCCN(CCCl)Cc1ccccc1Br
InChIInChI=1S/C11H15BrClN/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3
InChIKeySDJLVPMBBFRBLL-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.51
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine

N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine (PubChem CID 3172) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine
PubChem CID3172
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC NameN-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine
SMILESCCN(CCCl)Cc1ccccc1Br
InChIInChI=1S/C11H15BrClN/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3
InChIKeySDJLVPMBBFRBLL-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine (CID 3172) is N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine is CCN(CCCl)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine?
The InChIKey is SDJLVPMBBFRBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine?
N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine has a molecular weight of 276.60 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-chloro-N-ethylethanamine is sourced from PubChem (CID 3172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).