2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine

C13H18BrNO2 — CID 62598290

IUPAC2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESBrc1ccccc1OCCNCC1CCOC1
InChIInChI=1S/C13H18BrNO2/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-4,11,15H,5-10H2
InChIKeyXXXZUILYTJWGCN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.45
Rot. Bonds6

About 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine

2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62598290) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62598290
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESBrc1ccccc1OCCNCC1CCOC1
InChIInChI=1S/C13H18BrNO2/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-4,11,15H,5-10H2
InChIKeyXXXZUILYTJWGCN-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 82825971
2-(3-bromo-4-fluorophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 83235088
2-[2-(oxan-4-ylmethylamino)ethoxy]benzoic acid
CID 103250909
2-[(2-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 62564827
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
N-(oxolan-3-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)ethanamine
CID 62584158
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
CID 62599154
N-(oxan-3-ylmethyl)-3-phenoxypropan-1-amine
CID 62935741
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 62598290) is 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine is Brc1ccccc1OCCNCC1CCOC1.
What is the InChIKey of 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is XXXZUILYTJWGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-12-3-1-2-4-13(12)17-8-6-15-9-11-5-7-16-10-11/h1-4,11,15H,5-10H2.
What are the key properties of 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 300.20 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62598290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).