[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine

C15H22BrNO3 — CID 104658180

IUPAC[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine
SMILESCOCCOc1ccc(C(N)C2CCOC2C)cc1Br
InChIInChI=1S/C15H22BrNO3/c1-10-12(5-6-19-10)15(17)11-3-4-14(13(16)9-11)20-8-7-18-2/h3-4,9-10,12,15H,5-8,17H2,1-2H3
InChIKeyCMQIQCLAXMDWOW-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.90
Rot. Bonds6

About [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine

[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine (PubChem CID 104658180) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine
PubChem CID104658180
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine
SMILESCOCCOc1ccc(C(N)C2CCOC2C)cc1Br
InChIInChI=1S/C15H22BrNO3/c1-10-12(5-6-19-10)15(17)11-3-4-14(13(16)9-11)20-8-7-18-2/h3-4,9-10,12,15H,5-8,17H2,1-2H3
InChIKeyCMQIQCLAXMDWOW-UHFFFAOYSA-N
XLogP2.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
CID 104658143
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
[3-bromo-4-(2-methoxyethoxy)phenyl]-(1,1-dioxothiolan-3-yl)methanamine
CID 104658136
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
CID 103166047
[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine
CID 104658151
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanamine
CID 105043083
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine
CID 103556513
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine
CID 104658264

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine (CID 104658180) is [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine is COCCOc1ccc(C(N)C2CCOC2C)cc1Br.
What is the InChIKey of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine?
The InChIKey is CMQIQCLAXMDWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-10-12(5-6-19-10)15(17)11-3-4-14(13(16)9-11)20-8-7-18-2/h3-4,9-10,12,15H,5-8,17H2,1-2H3.
What are the key properties of [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine?
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine has a molecular weight of 344.25 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 104658180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).