2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine

C11H15BrClNO — CID 63386918

IUPAC2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
SMILESCN(CCCl)CCOc1ccc(Br)cc1
InChIInChI=1S/C11H15BrClNO/c1-14(7-6-13)8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyMUTSTMGUPGQAQK-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.00
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine

2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine (PubChem CID 63386918) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
PubChem CID63386918
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
SMILESCN(CCCl)CCOc1ccc(Br)cc1
InChIInChI=1S/C11H15BrClNO/c1-14(7-6-13)8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChIKeyMUTSTMGUPGQAQK-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554
N-[2-(4-bromophenoxy)ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 55182790
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
N'-[2-(4-bromophenoxy)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62593126
2-(4-bromophenoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 60646418
N-[2-(4-bromophenoxy)ethyl]-N-methylformamide
CID 64992570
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
2-(4-bromophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 51110679
2-[2-(4-bromophenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115637871
2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119929603
N-[2-(4-bromophenoxy)ethyl]-N-propylcyclopropanamine
CID 54971490

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine (CID 63386918) is 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine is CN(CCCl)CCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine?
The InChIKey is MUTSTMGUPGQAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c1-14(7-6-13)8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine?
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine has a molecular weight of 292.60 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine is sourced from PubChem (CID 63386918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).