N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine

C17H20BrNO2 — CID 63550513

IUPACN-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H20BrNO2/c1-13-10-14(12-19-8-9-20-2)6-7-17(13)21-16-5-3-4-15(18)11-16/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyUYTYIDASPGMYQH-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.29
Rot. Bonds7

About N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine

N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine (PubChem CID 63550513) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
PubChem CID63550513
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(Oc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H20BrNO2/c1-13-10-14(12-19-8-9-20-2)6-7-17(13)21-16-5-3-4-15(18)11-16/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyUYTYIDASPGMYQH-UHFFFAOYSA-N
XLogP4.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine 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

N-[[4-(3-chlorophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63071176
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methoxyethanamine
CID 63070975
N-[[4-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63063568
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
N-[[3-(3-bromophenoxy)phenyl]methyl]propan-1-amine
CID 63943681
N-[(3-bromophenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103178728
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
N-[[4-(3-iodophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552944
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine (CID 63550513) is N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(Oc2cccc(Br)c2)c(C)c1.
What is the InChIKey of N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
The InChIKey is UYTYIDASPGMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-13-10-14(12-19-8-9-20-2)6-7-17(13)21-16-5-3-4-15(18)11-16/h3-7,10-11,19H,8-9,12H2,1-2H3.
What are the key properties of N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine?
N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine has a molecular weight of 350.26 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenoxy)-3-methylphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63550513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).