2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine

C14H20BrNO2 — CID 82825971

IUPAC2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
SMILESBrc1ccccc1COCCNCC1CCOC1
InChIInChI=1S/C14H20BrNO2/c15-14-4-2-1-3-13(14)11-18-8-6-16-9-12-5-7-17-10-12/h1-4,12,16H,5-11H2
InChIKeyFSGOKSJCKWVPPX-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.59
Rot. Bonds7

About 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine

2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 82825971) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID82825971
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
SMILESBrc1ccccc1COCCNCC1CCOC1
InChIInChI=1S/C14H20BrNO2/c15-14-4-2-1-3-13(14)11-18-8-6-16-9-12-5-7-17-10-12/h1-4,12,16H,5-11H2
InChIKeyFSGOKSJCKWVPPX-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.59
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-chlorophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 62564827
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
2-(oxan-4-ylmethoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62582727
2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
2-(3-bromo-4-fluorophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 83235088
N-[2-[(2-bromophenyl)methoxy]ethyl]cyclohexanamine
CID 82825189
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
1-[2-(ethoxymethyl)phenyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94198923
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
2-bromo-6-[(oxan-3-ylmethylamino)methyl]phenol
CID 61392158

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine (CID 82825971) is 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine is Brc1ccccc1COCCNCC1CCOC1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is FSGOKSJCKWVPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-14-4-2-1-3-13(14)11-18-8-6-16-9-12-5-7-17-10-12/h1-4,12,16H,5-11H2.
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine?
2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 314.22 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 82825971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).