2-(4-bromophenoxy)ethanamine

C8H10BrNO — CID 16764930

IUPAC2-(4-bromophenoxy)ethanamine
SMILESNCCOc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyAIHSYDQJCKBJHB-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.79
Rot. Bonds3

About 2-(4-bromophenoxy)ethanamine

2-(4-bromophenoxy)ethanamine (PubChem CID 16764930) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-(4-bromophenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)ethanamine
PubChem CID16764930
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-(4-bromophenoxy)ethanamine
SMILESNCCOc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyAIHSYDQJCKBJHB-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenoxyethanamine
CID 15651
1-Phenoxy-2-propanamine
CID 37087
4-Bromophenetole
CID 68523
4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
(3-Phenoxypropyl)amine
CID 418237
N-(2-(p-bromophenoxy)ethyl)pyrrolidine
CID 70657
2-Bromoethyl p-bromophenyl ether
CID 87797
4-Butoxybromobenzene
CID 142395
1-Bromo-4-(propan-2-yloxy)benzene
CID 228088
(4-Bromophenoxy)acetonitrile
CID 598823
2-(2-Bromophenoxy)-N,N-dimethylethanamine
CID 888311
2-(4-bromophenoxy)-N,N-diethylethanamine
CID 423953

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)ethanamine?
The IUPAC name of 2-(4-bromophenoxy)ethanamine (CID 16764930) is 2-(4-bromophenoxy)ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)ethanamine is NCCOc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)ethanamine?
The InChIKey is AIHSYDQJCKBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2.
What are the key properties of 2-(4-bromophenoxy)ethanamine?
2-(4-bromophenoxy)ethanamine has a molecular weight of 216.08 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)ethanamine is sourced from PubChem (CID 16764930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).