2-(4-bromophenoxy)-N-methylethanamine

C9H12BrNO — CID 2160989

IUPAC2-(4-bromophenoxy)-N-methylethanamine
SMILESCNCCOc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyKBQNXQWMKSFFKY-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.05
Rot. Bonds4

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

2-(4-bromophenoxy)-N-methylethanamine (PubChem CID 2160989) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-methylethanamine
PubChem CID2160989
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-(4-bromophenoxy)-N-methylethanamine
SMILESCNCCOc1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyKBQNXQWMKSFFKY-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl(2-phenoxyethyl)amine
CID 37732
4-Bromophenetole
CID 68523
4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
Methyl(3-phenoxypropyl)amine
CID 22067856
N-(2-(p-bromophenoxy)ethyl)pyrrolidine
CID 70657
4-Butoxybromobenzene
CID 142395
(4-Bromophenoxy)acetonitrile
CID 598823
2-(2-Bromophenoxy)-N,N-dimethylethanamine
CID 888311
2-(4-bromophenoxy)-N,N-diethylethanamine
CID 423953
[3-(4-Bromo-phenoxy)-propyl]-(2-p-tolyloxy-ethyl)-amine
CID 10498972
1-[2-(4-Bromophenoxy)ethyl]piperidine
CID 867195
(2-(4-Bromophenoxy)ethyl)dimethylamine
CID 213877

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenoxy)-N-methylethanamine (CID 2160989) is 2-(4-bromophenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-N-methylethanamine is CNCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-methylethanamine?
The InChIKey is KBQNXQWMKSFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-methylethanamine?
2-(4-bromophenoxy)-N-methylethanamine has a molecular weight of 230.10 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-methylethanamine is sourced from PubChem (CID 2160989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).